Structure152 csChFnd80/03251016402D 28 31 0 0 0 0 0 0 0 0999 V2000 8.5427 -5.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5427 -6.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8616 -7.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1806 -6.9942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1806 -5.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8616 -4.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6290 -7.4648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5242 -6.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6290 -5.0006 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5858 -7.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2668 -6.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2668 -5.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5858 -4.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9048 -5.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9048 -6.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5516 -9.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4747 -10.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8689 -12.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3400 -12.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4169 -11.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0227 -9.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2237 -7.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0997 -8.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0472 -6.2327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5858 -9.2787 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.2237 -4.7097 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.2237 -9.2787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5708 -9.3075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 5 2 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 16 1 0 0 0 0 2 22 1 0 0 0 0 22 15 1 0 0 0 0 7 23 1 0 0 0 0 23 21 1 0 0 0 0 8 24 1 0 0 0 0 10 25 1 0 0 0 0 14 26 1 0 0 0 0 22 27 2 0 0 0 0 23 28 2 0 0 0 0 M END > (103) 152 > (103) C21H13F2N3O2 > (103) 377.3436264 > (103) CDK-2 > (103) 1169 > (103) Molecular Cancer Therapeutics, Received 2/21/03; revised 10/7/03; accepted 10/23/03. > (103) 324 > (103) 2007 > (103) 101 $$$$ Structure153 csChFnd80/03251016402D 30 33 0 0 0 0 0 0 0 0999 V2000 8.5427 -5.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5427 -6.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8616 -7.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1806 -6.9942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1806 -5.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8616 -4.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6290 -7.4648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5242 -6.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6290 -5.0006 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5858 -7.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2668 -6.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2668 -5.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5858 -4.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9048 -5.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9048 -6.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5516 -9.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4747 -10.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8689 -12.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3400 -12.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4169 -11.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0227 -9.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2237 -7.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0997 -8.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0472 -6.2327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5858 -9.2787 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.2237 -4.7097 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.2237 -9.2787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5708 -9.3075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2560 -8.4927 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.8880 -11.8555 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 5 2 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 16 1 0 0 0 0 2 22 1 0 0 0 0 22 15 1 0 0 0 0 7 23 1 0 0 0 0 23 21 1 0 0 0 0 8 24 1 0 0 0 0 10 25 1 0 0 0 0 14 26 1 0 0 0 0 22 27 2 0 0 0 0 23 28 2 0 0 0 0 16 29 1 0 0 0 0 20 30 1 0 0 0 0 M END > (104) 153 > (104) C21H11F4N3O2 > (104) 413.3245528 > (104) CDK-2 > (104) 1170 > (104) Molecular Cancer Therapeutics, Received 2/21/03; revised 10/7/03; accepted 10/23/03. > (104) 122 > (104) 2007 > (104) 102 $$$$ Structure154 csChFnd80/03251016402D 30 33 0 0 0 0 0 0 0 0999 V2000 8.5427 -5.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5427 -6.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8616 -7.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1806 -6.9942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1806 -5.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8616 -4.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6290 -7.4648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5242 -6.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6290 -5.0006 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5858 -7.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2668 -6.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2668 -5.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5858 -4.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9048 -5.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9048 -6.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5516 -9.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4747 -10.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8689 -12.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3400 -12.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4169 -11.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0227 -9.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2237 -7.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0997 -8.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0472 -6.2327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5858 -9.2787 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.2237 -4.7097 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.2237 -9.2787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5708 -9.3075 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.2560 -8.4927 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.8880 -11.8555 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 5 2 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 16 1 0 0 0 0 2 22 1 0 0 0 0 22 15 1 0 0 0 0 7 23 1 0 0 0 0 23 21 1 0 0 0 0 8 24 1 0 0 0 0 10 25 1 0 0 0 0 14 26 1 0 0 0 0 22 27 2 0 0 0 0 23 28 2 0 0 0 0 16 29 1 0 0 0 0 20 30 1 0 0 0 0 M END > (105) 154 > (105) C21H11F4N3OS > (105) 429.3901528 > (105) CDK-2 > (105) 1171 > (105) Molecular Cancer Therapeutics, Received 2/21/03; revised 10/7/03; accepted 10/23/03. > (105) 26 > (105) 2007 > (105) 103 $$$$ Structure155 csChFnd80/03251016402D 32 35 0 0 0 0 0 0 0 0999 V2000 8.5427 -5.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5427 -6.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8616 -7.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1806 -6.8844 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1806 -5.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8616 -4.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6290 -7.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5242 -6.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6290 -4.8908 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5858 -7.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2668 -6.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2668 -5.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5858 -4.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9048 -5.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9048 -6.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5909 -9.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5718 -10.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0424 -12.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5321 -12.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5512 -11.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0806 -9.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2237 -7.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0997 -8.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0472 -6.1229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5858 -9.1689 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.2237 -4.5999 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.2237 -9.1689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5894 -9.1202 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.2379 -8.5324 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.0409 -11.7005 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.0233 -13.3308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4939 -14.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 5 2 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 16 1 0 0 0 0 2 22 1 0 0 0 0 22 15 1 0 0 0 0 7 23 1 0 0 0 0 23 21 1 0 0 0 0 8 24 1 0 0 0 0 10 25 1 0 0 0 0 14 26 1 0 0 0 0 22 27 2 0 0 0 0 23 28 2 0 0 0 0 16 29 1 0 0 0 0 20 30 1 0 0 0 0 18 31 1 0 0 0 0 31 32 1 0 0 0 0 M END > (106) 155 > (106) C22H13F4N3O2S > (106) 459.4161328 > (106) CDK-2 > (106) 1172 > (106) Molecular Cancer Therapeutics, Received 2/21/03; revised 10/7/03; accepted 10/23/03. > (106) 28 > (106) 2007 > (106) 104 $$$$ Structure159 csChFnd80/03251016402D 28 31 0 0 0 0 0 0 0 0999 V2000 2.5647 -5.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5647 -6.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8837 -7.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2026 -6.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2026 -5.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8837 -4.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5216 -7.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8405 -6.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8405 -5.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5216 -4.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1595 -7.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8837 -9.0982 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.1595 -9.0982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4784 -9.8597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7974 -9.0982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7974 -7.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4784 -6.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5647 -9.8597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5647 -11.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8836 -12.1442 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2026 -11.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2026 -9.8597 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8837 -3.0062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2457 -7.5752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5216 -9.0982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8836 -13.6672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4784 -5.2907 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.5216 -3.0062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 8 11 1 0 0 0 0 3 12 1 0 0 0 0 11 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 11 1 0 0 0 0 12 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 12 1 0 0 0 0 6 23 1 0 0 0 0 2 24 1 0 0 0 0 22 25 1 0 0 0 0 20 26 1 0 0 0 0 17 27 1 0 0 0 0 10 28 2 0 0 0 0 M END > (109) 159 > (109) C22H22ClNO4 > (109) 399.86738 > (109) CDK-2 > (109) 1176 > (109) Journal of Medicinal Chemistry, 2000, Vol. 43, No. 1 > (109) 100 > (109) 2000 > (109) 107 $$$$ Structure160 csChFnd80/03251016402D 22 24 0 0 0 0 0 0 0 0999 V2000 6.9228 -10.3114 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9228 -11.8344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2418 -12.5959 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5607 -11.8344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5607 -10.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2418 -9.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0092 -12.3050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9044 -11.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0092 -9.8408 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9659 -8.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9659 -9.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2849 -10.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6039 -9.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6039 -8.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2849 -7.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2418 -8.0269 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9228 -7.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4798 -13.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6039 -12.5959 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2849 -11.8344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9659 -12.5959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6470 -11.8344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 6 16 1 0 0 0 0 16 17 1 0 0 0 0 14 17 1 0 0 0 0 7 18 1 0 0 0 0 2 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 M END > (110) 160 > (110) C15H18N6O > (110) 298.34302 > (110) CDK-2 > (110) 1177 > (110) Journal of Medicinal Chemistry, 2000, Vol. 43, No. 1 > (110) 7000 > (110) 2000 > (110) 108 $$$$ Structure163 csChFnd80/03251016402D 28 30 0 0 0 0 0 0 0 0999 V2000 7.6395 -10.8616 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4813 -12.3764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7140 -13.2708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1049 -12.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2631 -11.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0304 -10.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4966 -13.2690 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5150 -12.1366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7527 -10.8181 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8815 -5.4229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4906 -6.0433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3323 -7.5581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5650 -8.4525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9560 -7.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1142 -6.3174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1887 -8.7265 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8142 -14.7585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0903 -12.9967 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8576 -12.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0159 -10.5876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7832 -9.6932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6831 -15.7784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2630 -15.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0397 -3.9082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8070 -3.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9321 -14.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1648 -15.4059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0066 -16.9207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 6 16 1 0 0 0 0 7 17 1 0 0 0 0 2 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 14 16 1 0 0 0 0 17 22 1 0 0 0 0 17 23 1 0 0 0 0 10 24 1 0 0 0 0 24 25 1 0 0 0 0 18 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 M END > (113) 163 > (113) C19H26N6O3 > (113) 386.44814 > (113) CDK-2 > (113) 1180 > (113) Journal of Medicinal Chemistry, 2000, Vol. 43, No. 1 > (113) 500 > (113) 2000 > (113) 111 $$$$ Structure169 csChFnd80/03251016402D 28 31 0 0 0 0 0 0 0 0999 V2000 2.1122 -9.2903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1122 -10.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4311 -11.5748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7501 -10.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7501 -9.2903 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4311 -8.5288 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0691 -11.5748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3880 -10.8133 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3880 -9.2903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0691 -8.5288 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0259 -9.2903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0259 -10.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3449 -11.5748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6638 -10.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6638 -9.2903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3449 -8.5288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9828 -11.5748 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9828 -13.0978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3018 -13.8593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6207 -13.0978 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6207 -11.5748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3018 -10.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7070 -8.5288 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4311 -7.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7501 -6.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1122 -6.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9397 -13.8593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7932 -8.5288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 17 1 0 0 0 0 9 23 1 0 0 0 0 23 11 1 0 0 0 0 14 17 1 0 0 0 0 6 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 20 27 1 0 0 0 0 1 28 2 0 0 0 0 M END > (117) 169 > (117) C21H28N6O > (117) 380.48662 > (117) CDK-2 > (117) 1186 > (117) Journal of Medicinal Chemistry, 2000, Vol. 43, No. 1 > (117) 270 > (117) 2000 > (117) 115 $$$$ Structure174 csChFnd80/03251016402D 33 36 0 0 0 0 0 0 0 0999 V2000 5.3962 -7.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9256 -9.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9446 -10.4398 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4344 -10.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9050 -8.6747 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8859 -7.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4138 -9.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9432 -10.9383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9623 -12.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4520 -11.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9226 -10.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9035 -9.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4534 -11.2550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9020 -9.6717 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.3727 -8.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3330 -6.4582 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3771 -6.7277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4123 -9.9884 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.0957 -8.4986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7290 -11.4781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8624 -7.9066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3565 -6.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8050 -5.6238 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8050 -4.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3565 -3.6302 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4613 -4.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1240 -6.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4429 -5.6238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4429 -4.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1240 -3.3393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1240 -7.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8227 -6.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2561 -5.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 7 1 0 0 0 0 1 17 1 0 0 0 0 4 13 1 0 0 0 0 13 8 1 0 0 0 0 11 18 1 0 0 0 0 18 14 1 0 0 0 0 14 15 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 15 21 1 0 0 0 0 21 16 1 0 0 0 0 6 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 22 2 0 0 0 0 23 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 24 1 0 0 0 0 27 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 M END > (120) 174 > (120) C23H27N7O2S > (120) 465.57118 > (120) CDK-2 > (120) 1191 > (120) Current Topics in Medicinal Chemistry, 2005, Vol. 5, No. 2 > (120) 5 > (120) 2005 > (120) 118 $$$$ Structure30 csChFnd80/03251016402D 16 18 0 0 0 0 0 0 0 0999 V2000 2.4249 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 2.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5793 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 0.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 3.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2522 4.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5584 4.1552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6848 6.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9910 5.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 6.5271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3604 5.7777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 11 10 1 0 0 0 0 12 10 2 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 15 14 2 0 0 0 0 7 10 1 0 0 0 0 14 16 1 0 0 0 0 M END > (14) 30 > (14) C11H9N5 > (14) 211.22266 > (14) CDK-2 > (14) 127 > (14) 18232649 > (14) 90 > (14) 2008 > (14) 12 $$$$ Structure194 csChFnd80/03251016402D 27 29 0 0 0 0 0 0 0 0999 V2000 5.2791 -14.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5981 -15.5445 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9170 -14.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9170 -13.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5981 -12.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2791 -13.2600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2360 -15.5445 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5549 -14.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5549 -13.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2360 -12.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8739 -15.5445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2360 -17.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9602 -15.5445 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9602 -17.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6412 -17.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6412 -19.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9602 -20.1135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2791 -19.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2791 -17.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5549 -17.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5981 -20.1135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5981 -21.6365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8366 -22.9554 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0751 -21.6365 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.9170 -22.3980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2360 -21.6365 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.9170 -23.9210 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 4 1 0 0 0 0 8 11 2 0 0 0 0 7 12 1 0 0 0 0 1 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 20 12 1 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 M END > (139) 194 > (139) C18H16F4N4O > (139) 380.3394528 > (139) CDK-2 > (139) 1226 > (139) Medicinal Research Reviews, Vol. 21, No. 6, 487^498, 2001 > (139) 238 > (139) 2001 > (139) 137 $$$$ Structure195 csChFnd80/03251016402D 22 24 0 0 0 0 0 0 0 0999 V2000 5.2791 -14.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5981 -15.5445 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9170 -14.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9170 -13.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5981 -12.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2791 -13.2600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2360 -15.5445 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5549 -14.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5549 -13.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2360 -12.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8739 -15.5445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2360 -17.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9602 -15.5445 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9602 -17.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6412 -17.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6412 -19.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9602 -20.1135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2791 -19.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2791 -17.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5549 -17.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5549 -19.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8739 -20.1135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 4 1 0 0 0 0 8 11 2 0 0 0 0 7 12 1 0 0 0 0 1 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 20 12 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 M END > (140) 195 > (140) C17H18N4O > (140) 294.35102 > (140) CDK-2 > (140) 1227 > (140) Medicinal Research Reviews, Vol. 21, No. 6, 487^498, 2001 > (140) 37 > (140) 2001 > (140) 138 $$$$ Structure31 csChFnd80/03251016402D 17 19 0 0 0 0 0 0 0 0999 V2000 2.4249 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 2.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5793 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 0.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 3.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2522 4.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5584 4.1552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6848 6.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9910 5.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 6.5271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3604 5.7777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 4.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 11 10 1 0 0 0 0 12 10 2 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 15 14 2 0 0 0 0 7 10 1 0 0 0 0 14 16 1 0 0 0 0 3 17 1 0 0 0 0 M END > (15) 31 > (15) C11H9N5O > (15) 227.22206 > (15) CDK-2 > (15) 130 > (15) 18232649 > (15) 18 > (15) 2008 > (15) 13 $$$$ Structure209 csChFnd80/03251016402D 22 25 0 0 0 0 0 0 0 0999 V2000 5.6318 -15.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6318 -17.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9508 -17.9426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2697 -17.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2697 -15.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9508 -14.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7182 -17.6517 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6134 -16.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7182 -15.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6404 -11.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1698 -12.6072 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1888 -13.7390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6786 -13.4224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1492 -11.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1301 -10.8421 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6213 -10.0269 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9508 -13.3736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3377 -19.0431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8523 -19.2023 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7475 -17.9701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1281 -16.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4425 -20.2752 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 9 12 1 0 0 0 0 10 16 1 0 0 0 0 6 17 1 0 0 0 0 7 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 8 1 0 0 0 0 18 22 1 0 0 0 0 M END > (142) 209 > (142) C15H12N6O > (142) 292.29538 > (142) CDK-2 > (142) 1266 > (142) Cancer Res 2007; 67: (17). September 1, 2007 > (142) 80 > (142) 2007 > (142) 140 $$$$ Structure210 csChFnd80/03251016402D 21 24 0 0 0 0 0 0 0 0999 V2000 5.6318 -15.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6318 -17.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9508 -17.9426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2697 -17.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2697 -15.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9508 -14.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7182 -17.6517 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6134 -16.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7182 -15.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6404 -11.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1698 -12.6072 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1888 -13.7390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6786 -13.4224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1492 -11.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1301 -10.8421 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6213 -10.0269 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3377 -19.0431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8523 -19.2023 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7475 -17.9701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1281 -16.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4425 -20.2752 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 9 12 1 0 0 0 0 10 16 1 0 0 0 0 7 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 8 1 0 0 0 0 17 21 1 0 0 0 0 M END > (143) 210 > (143) C15H12N6 > (143) 276.29598 > (143) CDK-2 > (143) 1267 > (143) Cancer Res 2007; 67: (17). September 1, 2007 > (143) 210 > (143) 2007 > (143) 141 $$$$ Structure213 csChFnd80/03251016402D 18 20 0 0 0 0 0 0 0 0999 V2000 5.6318 -13.1266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6318 -11.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9508 -10.8421 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2697 -11.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2697 -13.1266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9508 -13.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7182 -11.1330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6134 -12.3651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7182 -13.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1492 -16.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6786 -15.3623 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1888 -15.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1698 -16.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6404 -17.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1301 -17.9426 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6389 -17.1274 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9508 -15.4111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6318 -16.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 9 12 1 0 0 0 0 10 16 1 0 0 0 0 6 17 1 0 0 0 0 17 18 1 0 0 0 0 M END > (146) 213 > (146) C12H11N5O > (146) 241.24864 > (146) CDK-2 > (146) 1270 > (146) Cancer Res 2007; 67: (17). September 1, 2007 > (146) 110 > (146) 2007 > (146) 144 $$$$ Structure223 csChFnd80/03251016402D 17 19 0 0 0 0 0 0 0 0999 V2000 5.6318 -15.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6318 -17.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9508 -17.9426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2697 -17.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2697 -15.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9508 -14.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7182 -17.6517 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6134 -16.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7182 -15.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6404 -11.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1698 -12.6072 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1888 -13.7390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6786 -13.4224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1492 -11.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1301 -10.8421 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6213 -10.0269 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9508 -13.3736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 9 12 1 0 0 0 0 10 16 1 0 0 0 0 6 17 1 0 0 0 0 M END > (147) 223 > (147) C12H10N4O > (147) 226.234 > (147) CDK-2 > (147) 1283 > (147) Cancer Res 2007; 67: (17). September 1, 2007 > (147) 3100 > (147) 2007 > (147) 145 $$$$ Structure224 csChFnd80/03251016402D 19 21 0 0 0 0 0 0 0 0999 V2000 5.6318 -13.1266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6318 -11.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9508 -10.8421 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2697 -11.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2697 -13.1266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9508 -13.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7182 -11.1330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6134 -12.3651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7182 -13.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1492 -16.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6786 -15.3623 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1888 -15.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1698 -16.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6404 -17.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1301 -17.9426 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6389 -17.1274 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9508 -15.4111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6318 -16.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6318 -17.6956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 9 12 1 0 0 0 0 10 16 1 0 0 0 0 6 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 M END > (148) 224 > (148) C13H13N5O > (148) 255.27522 > (148) CDK-2 > (148) 1284 > (148) Cancer Res 2007; 67: (17). September 1, 2007 > (148) 7 > (148) 2007 > (148) 146 $$$$ Structure226 csChFnd80/03251016402D 24 27 0 0 0 0 0 0 0 0999 V2000 5.1904 -15.9344 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1904 -17.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5094 -18.2189 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8283 -17.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8283 -15.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5094 -15.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2768 -17.9280 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1720 -16.6959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2768 -15.4638 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2335 -13.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2335 -15.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5525 -15.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8714 -15.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8714 -13.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5525 -12.8884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1904 -12.8884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8714 -18.2189 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5094 -13.6499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8714 -19.7419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5525 -20.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5525 -22.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8714 -22.7879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1904 -22.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1904 -20.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 10 1 0 0 0 0 14 16 1 0 0 0 0 2 17 1 0 0 0 0 16 18 1 0 0 0 0 18 6 1 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 19 1 0 0 0 0 M END > (149) 226 > (149) C18H21N5O > (149) 323.39224 > (149) CDK-2 > (149) 1286 > (149) nature structure biology, volume 9 number 10, october 2002 > (149) 1000 > (149) 2002 > (149) 147 $$$$ Structure227 csChFnd80/03251016402D 25 28 0 0 0 0 0 0 0 0999 V2000 5.1904 -15.9344 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1904 -17.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5094 -18.2189 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8283 -17.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8283 -15.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5094 -15.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2768 -17.9280 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1720 -16.6959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2768 -15.4638 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2335 -13.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2335 -15.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5525 -15.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8714 -15.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8714 -13.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5525 -12.8884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1904 -12.8884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8714 -18.2189 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5094 -13.6499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8714 -19.7419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5525 -20.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5525 -22.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8714 -22.7879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1904 -22.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1904 -20.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5094 -22.7879 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 10 1 0 0 0 0 14 16 1 0 0 0 0 2 17 1 0 0 0 0 16 18 1 0 0 0 0 18 6 1 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 19 1 0 0 0 0 23 25 1 0 0 0 0 M END > (150) 227 > (150) C18H20ClN5O > (150) 357.8373 > (150) CDK-2 > (150) 1287 > (150) nature structure biology, volume 9 number 10, october 2002 > (150) 2300 > (150) 2002 > (150) 148 $$$$ Structure228 csChFnd80/03251016402D 28 31 0 0 0 0 0 0 0 0999 V2000 5.1904 -15.9344 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1904 -17.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5094 -18.2189 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8283 -17.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8283 -15.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5094 -15.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2768 -17.9280 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1720 -16.6959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2768 -15.4638 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2335 -13.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2335 -15.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5525 -15.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8714 -15.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8714 -13.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5525 -12.8884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1904 -12.8884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8714 -18.2189 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5094 -13.6499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8714 -19.7419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5525 -20.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5525 -22.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8714 -22.7879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1904 -22.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1904 -20.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8714 -24.3109 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3484 -24.3109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8714 -25.8339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3944 -24.3109 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 10 1 0 0 0 0 14 16 1 0 0 0 0 2 17 1 0 0 0 0 16 18 1 0 0 0 0 18 6 1 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 19 1 0 0 0 0 22 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 M END > (151) 228 > (151) C18H22N6O3S > (151) 402.47068 > (151) CDK-2 > (151) 1288 > (151) nature structure biology, volume 9 number 10, october 2002 > (151) 6 > (151) 2002 > (151) 149 $$$$ Structure34 csChFnd80/03251016402D 20 22 0 0 0 0 0 0 0 0999 V2000 3.6373 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9688 2.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7917 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9688 0.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4014 3.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4646 4.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7708 4.1552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8972 6.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2034 5.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2667 6.5271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5728 5.7777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 4.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 11 10 1 0 0 0 0 12 10 2 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 15 14 2 0 0 0 0 7 10 1 0 0 0 0 14 16 1 0 0 0 0 3 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 M END > (18) 34 > (18) C14H15N5O > (18) 269.3018 > (18) CDK-2 > (18) 139 > (18) 18232649 > (18) 3 > (18) 2008 > (18) 16 $$$$ Structure35 csChFnd80/03251016402D 20 22 0 0 0 0 0 0 0 0999 V2000 3.6373 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9688 2.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7917 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9688 0.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4014 3.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4646 4.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7708 4.1552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8972 6.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2034 5.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2667 6.5271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5728 5.7777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 4.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 11 10 1 0 0 0 0 12 10 2 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 15 14 2 0 0 0 0 7 10 1 0 0 0 0 14 16 1 0 0 0 0 3 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 M END > (19) 35 > (19) C14H15N5O > (19) 269.3018 > (19) CDK-2 > (19) 142 > (19) 18232649 > (19) 5.1 > (19) 2008 > (19) 17 $$$$ Structure37 csChFnd80/03251016402D 18 20 0 0 0 0 0 0 0 0999 V2000 2.4249 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 3.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 1.0641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7563 3.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 2.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7563 1.3315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 4.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2522 5.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5584 5.2193 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6848 7.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9910 6.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 7.5912 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3604 6.8418 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 5.2641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 11 10 1 0 0 0 0 12 10 2 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 15 14 2 0 0 0 0 7 10 1 0 0 0 0 14 16 1 0 0 0 0 3 17 1 0 0 0 0 9 18 1 0 0 0 0 M END > (20) 37 > (20) C12H11N5O > (20) 241.24864 > (20) CDK-2 > (20) 148 > (20) 18232649 > (20) 1800 > (20) 2008 > (20) 18 $$$$ Structure39 csChFnd80/03251016402D 17 19 0 0 0 0 0 0 0 0999 V2000 2.4249 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7563 2.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7563 0.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 3.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2522 4.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5584 4.1552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6848 6.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9910 5.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 6.5271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3604 5.7777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 4.2000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 11 10 1 0 0 0 0 12 10 2 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 15 14 2 0 0 0 0 7 10 1 0 0 0 0 14 16 1 0 0 0 0 3 17 1 0 0 0 0 M END > (21) 39 > (21) C11H8ClN5 > (21) 245.66772 > (21) CDK-2 > (21) 154 > (21) 18232649 > (21) 60 > (21) 2008 > (21) 19 $$$$ Structure40 csChFnd80/03251016402D 17 19 0 0 0 0 0 0 0 0999 V2000 3.6373 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9688 2.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7917 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9688 0.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4014 3.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4646 4.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7708 4.1552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8973 6.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2034 5.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2667 6.5271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5728 5.7777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 11 10 1 0 0 0 0 12 10 2 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 15 14 2 0 0 0 0 7 10 1 0 0 0 0 14 16 1 0 0 0 0 6 17 1 0 0 0 0 M END > (22) 40 > (22) C11H8BrN5 > (22) 290.11872 > (22) CDK-2 > (22) 157 > (22) 18232649 > (22) 1300 > (22) 2008 > (22) 20 $$$$ Structure41 csChFnd80/03251016402D 19 21 0 0 0 0 0 0 0 0999 V2000 2.4249 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 2.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 0.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 3.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2522 4.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5584 4.1552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6848 6.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9910 5.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 6.5271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3604 5.7777 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 4.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7930 7.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 11 10 1 0 0 0 0 12 10 2 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 15 14 2 0 0 0 0 7 10 1 0 0 0 0 14 16 1 0 0 0 0 3 17 1 0 0 0 0 17 18 1 0 0 0 0 16 19 1 0 0 0 0 M END > (23) 41 > (23) C13H12N4OS > (23) 272.32558 > (23) CDK-2 > (23) 160 > (23) 18232649 > (23) 2100 > (23) 2008 > (23) 21 $$$$ Structure42 csChFnd80/03251016402D 16 18 0 0 0 0 0 0 0 0999 V2000 2.4249 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 2.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 0.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 3.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2522 4.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5584 4.1552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6848 6.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9910 5.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 6.5271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 4.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 11 10 1 0 0 0 0 12 10 2 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 15 14 2 0 0 0 0 7 10 1 0 0 0 0 3 16 1 0 0 0 0 M END > (24) 42 > (24) C11H8N4O > (24) 212.20742 > (24) CDK-2 > (24) 163 > (24) 18232649 > (24) 700 > (24) 2008 > (24) 22 $$$$ Structure43 csChFnd80/03251016402D 17 19 0 0 0 0 0 0 0 0999 V2000 2.4249 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7563 2.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7563 0.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 3.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2522 4.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5584 4.1552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6848 6.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9910 5.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 6.5271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 4.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 11 10 1 0 0 0 0 12 10 2 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 15 14 2 0 0 0 0 7 10 1 0 0 0 0 3 16 1 0 0 0 0 16 17 1 0 0 0 0 M END > (25) 43 > (25) C12H10N4O > (25) 226.234 > (25) CDK-2 > (25) 166 > (25) 18232649 > (25) 800 > (25) 2008 > (25) 23 $$$$ Structure44 csChFnd80/03251016402D 23 26 0 0 0 0 0 0 0 0999 V2000 2.4249 3.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 4.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 1.8600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 4.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5793 3.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 2.1273 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 5.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2522 6.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5584 6.0151 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6848 8.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9910 7.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 8.3870 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 6.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9715 3.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5408 1.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3257 0.8485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7179 0.7021 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7363 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0255 7.9447 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 11 10 1 0 0 0 0 12 10 2 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 15 14 2 0 0 0 0 7 10 1 0 0 0 0 3 16 1 0 0 0 0 16 17 1 0 0 0 0 18 8 1 0 0 0 0 9 8 1 0 0 0 0 19 18 2 0 0 0 0 20 9 1 0 0 0 0 21 19 1 0 0 0 0 21 20 2 0 0 0 0 20 22 1 0 0 0 0 14 23 1 0 0 0 0 M END > (26) 44 > (26) C15H13N7O > (26) 307.31002 > (26) CDK-2 > (26) 169 > (26) 18232649 > (26) 80 > (26) 2008 > (26) 24 $$$$ Structure87 csChFnd80/03251016402D 31 34 0 0 0 0 0 0 0 0999 V2000 5.2718 8.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5508 8.6477 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4181 6.6859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4875 7.6073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7875 6.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0594 8.7782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8799 7.7536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3777 5.7491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5241 4.3568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0083 6.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2451 3.7873 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3083 4.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3083 7.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9083 7.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9083 4.8278 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2083 6.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9540 2.4179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6226 1.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3315 0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3187 3.6906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4958 2.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7493 4.9695 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1035 2.7043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3570 5.1159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5341 3.9832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1417 4.1296 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.0653 1.2790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7863 0.7095 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.3442 1.8484 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.6347 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 5 4 1 0 0 0 0 1 6 2 0 0 0 0 4 7 2 0 0 0 0 9 8 2 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 11 1 0 0 0 0 3 8 1 0 0 0 0 13 10 1 0 0 0 0 12 10 2 0 0 0 0 14 13 2 0 0 0 0 15 12 1 0 0 0 0 16 14 1 0 0 0 0 16 15 2 0 0 0 0 11 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 22 21 1 0 0 0 0 23 21 2 0 0 0 0 24 22 2 0 0 0 0 25 23 1 0 0 0 0 26 24 1 0 0 0 0 26 25 2 0 0 0 0 5 25 1 0 0 0 0 26 27 1 0 0 0 0 22 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 M END > (45) 87 > (45) C20H14ClF3N4O3 > (45) 450.7983696 > (45) CDK-2 > (45) 757 > (45) 15149684 > (45) 2800 > (45) 2004 > (45) 43 $$$$ Structure88 csChFnd80/03251016402D 28 31 0 0 0 0 0 0 0 0999 V2000 5.5630 9.2646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8419 9.8340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7093 7.8722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7788 8.7935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0788 7.5811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3506 9.9646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1711 8.9399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6689 6.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8153 5.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2995 7.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5362 4.9736 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5995 6.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5995 8.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1995 8.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1995 6.0140 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4995 7.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2452 3.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9137 3.1715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6226 1.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2911 1.3695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6482 6.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0406 6.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8253 5.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6100 4.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3947 3.8905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7871 3.7441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8634 7.2885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 5 4 1 0 0 0 0 1 6 2 0 0 0 0 4 7 2 0 0 0 0 9 8 2 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 11 1 0 0 0 0 3 8 1 0 0 0 0 13 10 1 0 0 0 0 12 10 2 0 0 0 0 14 13 2 0 0 0 0 15 12 1 0 0 0 0 16 14 1 0 0 0 0 16 15 2 0 0 0 0 11 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 22 21 1 0 0 0 0 23 21 2 0 0 0 0 24 22 2 0 0 0 0 25 23 1 0 0 0 0 26 24 1 0 0 0 0 26 25 2 0 0 0 0 5 21 1 0 0 0 0 22 27 1 0 0 0 0 20 28 1 0 0 0 0 M END > (46) 88 > (46) C21H19N3O4 > (46) 377.39326 > (46) CDK-2 > (46) 759 > (46) 15149684 > (46) 430 > (46) 2004 > (46) 44 $$$$ Structure89 csChFnd80/03251016402D 35 38 0 0 0 0 0 0 0 0999 V2000 6.8944 12.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1734 13.5095 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0407 11.5477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1101 12.4691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4101 11.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6819 13.6400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5025 12.6154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0003 10.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1466 9.2185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6308 10.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8677 8.6492 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9308 9.6896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9308 12.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5308 12.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5308 9.6896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8308 10.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5766 7.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2451 6.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9540 5.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6225 5.0451 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9796 9.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3719 9.8313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1566 8.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9414 8.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7261 7.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1184 7.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3315 3.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1948 10.9639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.2430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3719 2.7388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0807 1.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7114 1.6605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4502 1.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7897 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5872 10.8176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 5 4 1 0 0 0 0 1 6 2 0 0 0 0 4 7 2 0 0 0 0 9 8 2 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 11 1 0 0 0 0 3 8 1 0 0 0 0 13 10 1 0 0 0 0 12 10 2 0 0 0 0 14 13 2 0 0 0 0 15 12 1 0 0 0 0 16 14 1 0 0 0 0 16 15 2 0 0 0 0 11 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 22 21 1 0 0 0 0 23 21 2 0 0 0 0 24 22 2 0 0 0 0 26 24 1 0 0 0 0 26 25 2 0 0 0 0 5 21 1 0 0 0 0 20 27 1 0 0 0 0 25 23 1 0 0 0 0 22 28 1 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 28 35 1 0 0 0 0 M END > (47) 89 > (47) C26H28N4O5 > (47) 476.52432 > (47) CDK-2 > (47) 761 > (47) 15149684 > (47) 68 > (47) 2004 > (47) 45 $$$$ Structure91 csChFnd80/03251016402D 26 28 0 0 0 0 0 0 0 0999 V2000 10.3886 -21.1874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3886 -22.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1870 -23.2686 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9855 -22.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9855 -21.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1870 -20.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6659 -23.0036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8504 -21.8812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6659 -20.7587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1870 -18.9707 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1953 -24.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5902 -23.2686 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2558 -23.5405 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7948 -24.9649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2979 -25.2103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5060 -16.6862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7076 -15.9925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7076 -14.6050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5060 -13.9113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3044 -14.6050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3044 -15.9925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5060 -18.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2198 -22.3615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7229 -22.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7056 -24.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2722 -25.5290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 1 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 5 9 1 0 0 0 0 10 22 1 0 0 0 0 7 11 1 0 0 0 0 2 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 16 21 1 0 0 0 0 16 22 1 0 0 0 0 13 23 1 6 0 0 0 23 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 6 10 1 0 0 0 0 M END > (49) 91 > (49) C19H26N6O > (49) 354.44934 > (49) CDK-2 > (49) 1108 > (49) Current Topics in Medicinal Chemistry, 2002, Vol. 2, No. 9 > (49) 700 > (49) 2007 > (49) 47 $$$$ Structure92 csChFnd80/03251016402D 29 31 0 0 0 0 0 0 0 0999 V2000 8.4917 -7.5604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4917 -9.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1728 -9.8449 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8538 -9.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8538 -7.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1728 -6.7989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4053 -9.5541 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5101 -8.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4053 -7.0898 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1728 -5.2759 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9347 -11.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8107 -9.8449 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1296 -9.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4486 -9.8449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7675 -9.0834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4917 -2.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8107 -2.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8107 -0.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4917 0.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1728 -0.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1728 -2.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4917 -4.5144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4450 -11.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0116 -12.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8107 -11.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1296 -12.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1296 -13.6524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4917 1.5776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8107 2.3391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 1 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 5 9 1 0 0 0 0 10 22 1 0 0 0 0 7 11 1 0 0 0 0 2 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 16 21 1 0 0 0 0 16 22 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 19 28 1 0 0 0 0 28 29 1 0 0 0 0 6 10 1 0 0 0 0 M END > (50) 92 > (50) C20H28N6O3 > (50) 400.47472 > (50) CDK-2 > (50) 1109 > (50) Current Topics in Medicinal Chemistry, 2002, Vol. 2, No. 9 > (50) 500 > (50) 2007 > (50) 48 $$$$ aminoimidazo[1,2-a]pyridine deriv. 27 csChFnd80/03251016402D 32 35 0 0 0 0 0 0 0 0999 V2000 -3.4375 1.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1520 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1520 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7230 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7230 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4375 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0086 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2941 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5796 1.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2941 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5796 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1036 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8882 0.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8882 1.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1036 0.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4375 -0.6813 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0086 1.7938 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1431 -0.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5910 -1.0652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9501 -0.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8863 -1.7032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5095 -1.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3531 -0.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5733 -0.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1065 -1.4337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3731 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1700 1.2135 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4168 0.7269 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4833 -1.9742 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0086 -0.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7231 -1.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4375 -1.5063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 6 4 1 0 0 0 0 4 5 2 0 0 0 0 5 17 1 0 0 0 0 6 16 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 7 30 2 0 0 0 0 10 8 1 0 0 0 0 8 11 2 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 11 15 1 0 0 0 0 13 15 1 0 0 0 0 15 12 1 0 0 0 0 14 12 2 0 0 0 0 13 26 2 0 0 0 0 26 14 1 0 0 0 0 13 18 1 0 0 0 0 18 20 1 0 0 0 0 18 19 2 0 0 0 0 24 20 2 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 25 2 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 26 27 1 0 0 0 0 24 28 1 0 0 0 0 25 29 1 0 0 0 0 30 31 1 0 0 0 0 31 32 3 0 0 0 0 M END > (506) 611 > (506) C23H12F4N4O > (506) 436.3611928 > (506) CDK-2 > (506) 6705 > (506) 896 > (506) 504 $$$$ Structure94 csChFnd80/03251016402D 28 31 0 0 0 0 0 0 0 0999 V2000 13.1865 -17.3242 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1865 -18.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8675 -19.6087 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5486 -18.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5486 -17.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8675 -16.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1001 -19.3179 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2049 -18.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1001 -16.8536 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8675 -15.0397 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6295 -20.7663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1865 -14.2782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1865 -12.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5055 -11.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8244 -12.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8244 -14.2782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5055 -15.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1398 -21.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5055 -19.6087 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8244 -18.8472 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.1434 -19.6087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4623 -18.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4623 -17.3242 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.1434 -16.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8244 -17.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7813 -16.5627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5055 -10.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5055 -8.9477 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27 28 3 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 1 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 5 9 1 0 0 0 0 7 11 1 0 0 0 0 2 19 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 12 17 1 0 0 0 0 11 18 1 0 0 0 0 14 27 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 20 25 1 0 0 0 0 20 19 1 1 0 0 0 23 26 1 6 0 0 0 10 6 1 0 0 0 0 12 10 1 0 0 0 0 M END > (52) 94 > (52) C20H23N7O > (52) 377.44292 > (52) CDK-2 > (52) 1111 > (52) Current Topics in Medicinal Chemistry, 2002, Vol. 2, No. 9 > (52) 46 > (52) 2007 > (52) 50 $$$$ Structure95 csChFnd80/03251016402D 27 29 0 0 0 0 0 0 0 0999 V2000 6.2378 -9.1306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2378 -10.6536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9189 -11.4151 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5999 -10.6536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5999 -9.1306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9189 -8.3691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1515 -11.1242 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2563 -9.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1515 -8.6600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9189 -6.8461 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6808 -12.5727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5568 -11.4151 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2378 -4.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7608 -4.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5223 -3.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7608 -1.9237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2378 -1.9237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4763 -3.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1911 -12.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7578 -13.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8757 -10.6536 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1947 -11.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5137 -10.6536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0453 -3.2426 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.8757 -9.1306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1947 -8.3691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5568 -8.3691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 1 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 5 9 1 0 0 0 0 7 11 1 0 0 0 0 2 12 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 13 18 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 15 24 1 0 0 0 0 21 25 1 6 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 6 10 1 0 0 0 0 10 13 1 0 0 0 0 M END > (53) 95 > (53) C19H25ClN6O > (53) 388.8944 > (53) CDK-2 > (53) 1112 > (53) Current Topics in Medicinal Chemistry, 2002, Vol. 2, No. 9 > (53) 35 > (53) 2007 > (53) 51 $$$$ Structure96 csChFnd80/03251016402D 30 32 0 0 0 0 0 0 0 0999 V2000 19.3310 -9.5437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3310 -11.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0120 -11.8282 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6930 -11.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6930 -9.5437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0120 -8.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2446 -11.5373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3494 -10.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2446 -9.0730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.0120 -7.2592 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7739 -12.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6499 -11.8282 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3310 -6.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6499 -7.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9689 -6.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9689 -4.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6499 -4.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3310 -4.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2842 -13.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8509 -14.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9689 -11.0667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2878 -11.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6068 -11.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2878 -7.2592 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 21.9689 -9.5437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2878 -8.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6499 -8.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2878 -4.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6068 -4.9747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2878 -2.6902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 1 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 5 9 1 0 0 0 0 7 11 1 0 0 0 0 2 12 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 13 18 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 15 24 1 0 0 0 0 21 25 1 6 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 16 28 1 0 0 0 0 10 6 1 0 0 0 0 10 13 1 0 0 0 0 M END > (54) 96 > (54) C20H25ClN6O3 > (54) 432.9039 > (54) CDK-2 > (54) 1113 > (54) Current Topics in Medicinal Chemistry, 2002, Vol. 2, No. 9 > (54) 9 > (54) 2007 > (54) 52 $$$$ Structure97 csChFnd80/03251016402D 28 30 0 0 0 0 0 0 0 0999 V2000 8.2177 -26.5987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2177 -28.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8988 -28.8832 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5798 -28.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5798 -26.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8988 -25.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1314 -28.5923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2362 -27.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1314 -26.1281 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8988 -24.3142 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6607 -30.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5367 -28.8832 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2177 -23.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5367 -24.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8556 -23.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8556 -22.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5367 -21.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2177 -22.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1710 -30.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7377 -31.1177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8556 -28.1217 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1746 -28.8832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4936 -28.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1746 -24.3142 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.8556 -26.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1746 -25.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5367 -25.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5367 -19.7452 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 1 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 5 9 1 0 0 0 0 7 11 1 0 0 0 0 2 12 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 13 18 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 15 24 1 0 0 0 0 21 25 1 6 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 17 28 1 0 0 0 0 10 6 1 0 0 0 0 13 10 1 0 0 0 0 M END > (55) 97 > (55) C19H26ClN7O > (55) 403.90904 > (55) CDK-2 > (55) 1114 > (55) Current Topics in Medicinal Chemistry, 2002, Vol. 2, No. 9 > (55) 28 > (55) 2007 > (55) 53 $$$$ Structure98 csChFnd80/03251016402D 30 34 0 0 0 0 0 0 0 0999 V2000 16.7052 -19.3688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7052 -20.8918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3862 -21.6533 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0673 -20.8918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0673 -19.3688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3862 -18.6073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6188 -21.3624 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7236 -20.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6188 -18.8982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3862 -17.0843 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1482 -22.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7052 -14.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3862 -14.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3862 -12.5153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7052 -11.7538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0241 -12.5153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0241 -14.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7052 -16.3228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0241 -21.6533 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3431 -20.8918 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.6620 -21.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9810 -20.8918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9810 -19.3688 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6620 -18.6073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3431 -19.3688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3000 -18.6073 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6997 -23.2815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6997 -24.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1482 -25.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0434 -24.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 1 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 5 9 1 0 0 0 0 10 18 1 0 0 0 0 7 11 1 0 0 0 0 2 19 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 20 25 1 0 0 0 0 20 19 1 1 0 0 0 23 26 1 1 0 0 0 10 6 1 0 0 0 0 11 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 11 1 0 0 0 0 M END > (56) 98 > (56) C23H31N7 > (56) 405.53914 > (56) CDK-2 > (56) 1115 > (56) Current Topics in Medicinal Chemistry, 2002, Vol. 2, No. 9 > (56) 48 > (56) 2007 > (56) 54 $$$$ Structure100 csChFnd80/03251016402D 38 42 0 0 0 0 0 0 0 0999 V2000 3.1405 -22.0557 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1405 -23.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8216 -24.3402 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5026 -23.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5026 -22.0557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8216 -21.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 -24.0494 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8410 -22.8172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 -21.5851 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8216 -20.2167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2788 -25.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8884 -19.6779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0447 -18.0617 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8884 -18.6004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7273 -25.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3836 -26.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0737 -24.1175 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0737 -25.1950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3926 -25.9565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3926 -27.4795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0737 -28.2410 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7547 -27.4795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7547 -25.9565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0737 -29.3185 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2788 -27.5384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7273 -27.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0447 -16.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8884 -14.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8884 -16.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2074 -17.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5263 -16.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5263 -14.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2074 -14.1609 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2074 -13.0834 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7324 -15.8525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5299 -17.3619 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.9384 -16.7825 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1408 -15.2731 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 38 1 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 1 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 5 9 1 0 0 0 0 7 11 1 0 0 0 0 2 17 1 0 0 0 0 13 14 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 18 23 1 0 0 0 0 18 17 1 1 0 0 0 21 24 1 6 0 0 0 16 25 1 0 0 0 0 25 26 1 0 0 0 0 26 15 1 0 0 0 0 13 27 1 0 0 0 0 27 29 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 28 33 1 0 0 0 0 10 12 1 0 0 0 0 12 14 1 0 0 0 0 33 34 1 0 0 0 0 32 35 1 0 0 0 0 10 6 1 0 0 0 0 M END > (58) 100 > (58) C26H36ClF3N8 > (58) 553.0658496 > (58) CDK-2 > (58) 1117 > (58) Current Topics in Medicinal Chemistry, 2002, Vol. 2, No. 9 > (58) 210 > (58) 2007 > (58) 56 $$$$ Structure102 csChFnd80/03251016402D 28 31 0 0 0 0 0 0 0 0999 V2000 7.1770 -18.5130 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1770 -20.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8581 -20.7975 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5391 -20.0360 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5391 -18.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8581 -17.7515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8581 -16.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0907 -20.5066 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1955 -19.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0907 -18.0423 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4960 -20.7975 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1770 -15.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4960 -16.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4960 -17.7515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8150 -18.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1339 -17.7515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1339 -16.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8150 -15.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7415 -20.6236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5111 -21.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0340 -21.9286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7875 -20.6050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0179 -19.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4950 -19.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3105 -20.6050 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.3105 -22.1280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8335 -20.6050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3105 -19.0820 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25 26 2 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 1 6 1 0 0 0 0 4 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 5 10 1 0 0 0 0 2 11 1 0 0 0 0 7 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 13 1 0 0 0 0 11 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 19 1 0 0 0 0 22 25 1 0 0 0 0 M END > (59) 102 > (59) C18H24N6O3S > (59) 404.48656 > (59) CDK-2 > (59) 1119 > (59) Current Topics in Medicinal Chemistry, 2002, Vol. 2, No. 9 > (59) 5 > (59) 2007 > (59) 57 $$$$ Anilinopyrazole deriv. 1o csChFnd80/03251016402D 32 35 0 0 0 0 0 0 0 0999 V2000 -0.1500 1.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 1.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2299 1.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5625 0.6732 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1049 1.1582 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3349 2.6102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4051 4.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 3.3441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1589 2.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6060 3.2630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2291 3.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0146 0.9032 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7290 1.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1108 2.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9058 2.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1124 1.6736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5240 1.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5224 2.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2892 2.8301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4942 3.0506 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9109 3.6339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0776 3.6339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4300 3.2225 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7011 3.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2365 4.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9770 3.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7883 2.9480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3237 3.5757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0478 4.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2937 4.4993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8771 3.9159 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0906 4.7128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 4 3 1 0 0 0 0 5 1 2 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 1 6 1 0 0 0 0 8 6 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 3 12 1 0 0 0 0 12 13 1 0 0 0 0 17 13 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 15 20 1 0 0 0 0 20 19 1 0 0 0 0 20 22 2 0 0 0 0 20 21 2 0 0 0 0 10 23 1 0 0 0 0 23 31 1 0 0 0 0 31 24 1 0 0 0 0 25 24 2 0 0 0 0 24 26 1 0 0 0 0 25 29 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 31 30 2 0 0 0 0 31 32 2 0 0 0 0 M END > (713) 841 > (713) C21H19N5O4S2 > (713) 469.53666 > (713) CDK-2 > (713) 8404 > (713) 10.7 > (713) 711 $$$$ pyrazolo[3,4-d]pyrimidin-4-one deriv. 19r csChFnd80/03251016402D 31 34 0 0 0 0 0 0 0 0999 V2000 -0.8750 1.6688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5895 0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1605 0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1605 1.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 2.4938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 0.0187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5895 1.2563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6241 1.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 0.8437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6241 0.1763 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2074 -0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 0.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 -1.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6363 -1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6363 -0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2074 -1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 0.8304 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3508 -1.6446 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4929 -1.6446 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6760 2.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3040 0.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8791 2.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0185 0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7460 1.6611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0272 1.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7286 0.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4474 0.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4560 1.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1748 1.6461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1575 -0.0038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1488 -0.8288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 4 1 0 0 0 0 7 2 1 0 0 0 0 2 6 2 0 0 0 0 6 3 1 0 0 0 0 10 3 1 0 0 0 0 3 4 2 0 0 0 0 8 4 1 0 0 0 0 10 9 1 0 0 0 0 9 8 2 0 0 0 0 1 5 2 0 0 0 0 10 11 1 0 0 0 0 12 11 2 0 0 0 0 11 16 1 0 0 0 0 12 15 1 0 0 0 0 16 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 12 17 1 0 0 0 0 14 18 1 0 0 0 0 16 19 1 0 0 0 0 8 22 1 0 0 0 0 22 20 1 0 0 0 0 2 21 1 0 0 0 0 21 23 1 0 0 0 0 26 23 2 0 0 0 0 23 25 1 0 0 0 0 24 28 1 0 0 0 0 24 25 2 0 0 0 0 28 27 2 0 0 0 0 27 26 1 0 0 0 0 28 29 1 0 0 0 0 27 30 1 0 0 0 0 30 31 1 0 0 0 0 M END > (716) 844 > (716) C21H17Cl3N4O3 > (716) 479.74368 > (716) CDK-2 > (716) 6019 > (716) 76 > (716) 714 $$$$ pyrazolo[3,4-d]pyrimidin-4-one deriv. 22q csChFnd80/03251016402D 30 33 0 0 0 0 0 0 0 0999 V2000 -0.8750 1.6688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5895 0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1605 0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1605 1.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 2.4938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 0.0187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5895 1.2563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6241 1.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 0.8437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6241 0.1763 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2074 -0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 0.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 -1.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6363 -1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6363 -0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2074 -1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 0.8304 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3508 -1.6446 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4929 -1.6446 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6760 2.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3040 0.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8791 2.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0185 0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0272 1.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7286 0.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4474 0.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4560 1.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1575 -0.0038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7460 1.6611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1748 1.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 4 1 0 0 0 0 7 2 1 0 0 0 0 2 6 2 0 0 0 0 6 3 1 0 0 0 0 10 3 1 0 0 0 0 3 4 2 0 0 0 0 8 4 1 0 0 0 0 10 9 1 0 0 0 0 9 8 2 0 0 0 0 1 5 2 0 0 0 0 10 11 1 0 0 0 0 12 11 2 0 0 0 0 11 16 1 0 0 0 0 12 15 1 0 0 0 0 16 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 12 17 1 0 0 0 0 14 18 1 0 0 0 0 16 19 1 0 0 0 0 8 22 1 0 0 0 0 22 20 1 0 0 0 0 2 21 1 0 0 0 0 21 23 1 0 0 0 0 25 23 2 0 0 0 0 23 24 1 0 0 0 0 29 27 1 0 0 0 0 29 24 2 0 0 0 0 27 26 2 0 0 0 0 26 25 1 0 0 0 0 26 28 1 0 0 0 0 27 30 1 0 0 0 0 M END > (720) 848 > (720) C21H17Cl3N4O2 > (720) 463.74428 > (720) CDK-2 > (720) 6024 > (720) 23 > (720) 718 $$$$ pyrazolo[3,4-d]pyrimidin-4-one deriv. 22g csChFnd80/03251016402D 29 32 0 0 0 0 0 0 0 0999 V2000 -0.8750 1.6688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5895 0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1605 0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1605 1.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 2.4938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 0.0187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5895 1.2563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6241 1.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 0.8437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6241 0.1763 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2074 -0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 0.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 -1.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6363 -1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6363 -0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2074 -1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 0.8304 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3508 -1.6446 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4929 -1.6446 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6760 2.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3040 0.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8791 2.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0185 0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0272 1.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7286 0.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4474 0.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4560 1.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1575 -0.0038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7460 1.6611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 4 1 0 0 0 0 7 2 1 0 0 0 0 2 6 2 0 0 0 0 6 3 1 0 0 0 0 10 3 1 0 0 0 0 3 4 2 0 0 0 0 8 4 1 0 0 0 0 10 9 1 0 0 0 0 9 8 2 0 0 0 0 1 5 2 0 0 0 0 10 11 1 0 0 0 0 12 11 2 0 0 0 0 11 16 1 0 0 0 0 12 15 1 0 0 0 0 16 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 12 17 1 0 0 0 0 14 18 1 0 0 0 0 16 19 1 0 0 0 0 8 22 1 0 0 0 0 22 20 1 0 0 0 0 2 21 1 0 0 0 0 21 23 1 0 0 0 0 25 23 2 0 0 0 0 23 24 1 0 0 0 0 29 27 1 0 0 0 0 29 24 2 0 0 0 0 27 26 2 0 0 0 0 26 25 1 0 0 0 0 26 28 1 0 0 0 0 M END > (723) 851 > (723) C20H15Cl3N4O2 > (723) 449.7177 > (723) CDK-2 > (723) 6025 > (723) 14 > (723) 721 $$$$ pyrazolo[3,4-d]pyrimidin-4-one deriv. 24a csChFnd80/03251016402D 32 35 0 0 0 0 0 0 0 0999 V2000 -0.8750 1.6688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5895 0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1605 0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1605 1.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 2.4938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 0.0187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5895 1.2563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6241 1.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 0.8437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6241 0.1763 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2074 -0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 0.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 -1.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6363 -1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6363 -0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2074 -1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 0.8304 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3508 -1.6446 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4929 -1.6446 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6760 2.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3040 0.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8791 2.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0185 0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7460 1.6611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0272 1.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7286 0.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4474 0.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4560 1.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1748 1.6461 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8849 1.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6037 1.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8762 0.4012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 4 1 0 0 0 0 7 2 1 0 0 0 0 2 6 2 0 0 0 0 6 3 1 0 0 0 0 10 3 1 0 0 0 0 3 4 2 0 0 0 0 8 4 1 0 0 0 0 10 9 1 0 0 0 0 9 8 2 0 0 0 0 1 5 2 0 0 0 0 10 11 1 0 0 0 0 12 11 2 0 0 0 0 11 16 1 0 0 0 0 12 15 1 0 0 0 0 16 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 12 17 1 0 0 0 0 14 18 1 0 0 0 0 16 19 1 0 0 0 0 8 22 1 0 0 0 0 22 20 1 0 0 0 0 2 21 1 0 0 0 0 21 23 1 0 0 0 0 26 23 2 0 0 0 0 23 25 1 0 0 0 0 24 28 1 0 0 0 0 24 25 2 0 0 0 0 28 27 2 0 0 0 0 27 26 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 2 0 0 0 0 M END > (724) 852 > (724) C22H18Cl3N5O2 > (724) 490.76962 > (724) CDK-2 > (724) 6027 > (724) 9 > (724) 722 $$$$ pyrazolo[3,4-d]pyrimidin-4-one deriv. 22s csChFnd80/03251016402D 30 33 0 0 0 0 0 0 0 0999 V2000 -0.8750 1.6688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5895 0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1605 0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1605 1.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 2.4938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 0.0187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5895 1.2563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6241 1.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 0.8437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6241 0.1763 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2074 -0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 0.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 -1.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6363 -1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6363 -0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2074 -1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 0.8304 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3508 -1.6446 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4929 -1.6446 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6760 2.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3040 0.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8791 2.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0185 0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7460 1.6611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0272 1.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7286 0.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4474 0.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4560 1.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1748 1.6461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1575 -0.0038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 4 1 0 0 0 0 7 2 1 0 0 0 0 2 6 2 0 0 0 0 6 3 1 0 0 0 0 10 3 1 0 0 0 0 3 4 2 0 0 0 0 8 4 1 0 0 0 0 10 9 1 0 0 0 0 9 8 2 0 0 0 0 1 5 2 0 0 0 0 10 11 1 0 0 0 0 12 11 2 0 0 0 0 11 16 1 0 0 0 0 12 15 1 0 0 0 0 16 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 12 17 1 0 0 0 0 14 18 1 0 0 0 0 16 19 1 0 0 0 0 8 22 1 0 0 0 0 22 20 1 0 0 0 0 2 21 1 0 0 0 0 21 23 1 0 0 0 0 26 23 2 0 0 0 0 23 25 1 0 0 0 0 24 28 1 0 0 0 0 24 25 2 0 0 0 0 28 27 2 0 0 0 0 27 26 1 0 0 0 0 28 29 1 0 0 0 0 27 30 1 0 0 0 0 M END > (727) 855 > (727) C20H15Cl3N4O3 > (727) 465.7171 > (727) CDK-2 > (727) 6021 > (727) 20 > (727) 725 $$$$ pyrazolo[3,4-d]pyrimidin-4-one deriv. 19u csChFnd80/03251016402D 31 34 0 0 0 0 0 0 0 0999 V2000 -0.8750 1.6688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5895 0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1605 0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1605 1.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 2.4938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 0.0187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5895 1.2563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6241 1.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 0.8437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6241 0.1763 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2074 -0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 0.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 -1.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6363 -1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6363 -0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2074 -1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 0.8304 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3508 -1.6446 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4929 -1.6446 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6760 2.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3040 0.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8791 2.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0185 0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0272 1.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7286 0.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4474 0.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4560 1.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1575 -0.0038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7460 1.6611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1748 1.6461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8849 1.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 4 1 0 0 0 0 7 2 1 0 0 0 0 2 6 2 0 0 0 0 6 3 1 0 0 0 0 10 3 1 0 0 0 0 3 4 2 0 0 0 0 8 4 1 0 0 0 0 10 9 1 0 0 0 0 9 8 2 0 0 0 0 1 5 2 0 0 0 0 10 11 1 0 0 0 0 12 11 2 0 0 0 0 11 16 1 0 0 0 0 12 15 1 0 0 0 0 16 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 12 17 1 0 0 0 0 14 18 1 0 0 0 0 16 19 1 0 0 0 0 8 22 1 0 0 0 0 22 20 1 0 0 0 0 2 21 1 0 0 0 0 21 23 1 0 0 0 0 25 23 2 0 0 0 0 23 24 1 0 0 0 0 29 27 1 0 0 0 0 29 24 2 0 0 0 0 27 26 2 0 0 0 0 26 25 1 0 0 0 0 26 28 1 0 0 0 0 27 30 1 0 0 0 0 30 31 1 0 0 0 0 M END > (731) 859 > (731) C21H17Cl3N4O3 > (731) 479.74368 > (731) CDK-2 > (731) 6023 > (731) 19 > (731) 729 $$$$ pyrazolo[3,4-d]pyrimidin-4-one deriv. 19i csChFnd80/03251016402D 28 31 0 0 0 0 0 0 0 0999 V2000 -0.8750 1.6688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5895 0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1605 0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1605 1.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 2.4938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 0.0187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5895 1.2563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6241 1.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 0.8437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6241 0.1763 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2074 -0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 0.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 -1.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6363 -1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6363 -0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2074 -1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 0.8304 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3508 -1.6446 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4929 -1.6446 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6760 2.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3040 0.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8791 2.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0185 0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7460 1.6611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4560 1.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0272 1.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7286 0.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4474 0.4162 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 4 1 0 0 0 0 7 2 1 0 0 0 0 2 6 2 0 0 0 0 6 3 1 0 0 0 0 10 3 1 0 0 0 0 3 4 2 0 0 0 0 8 4 1 0 0 0 0 10 9 1 0 0 0 0 9 8 2 0 0 0 0 1 5 2 0 0 0 0 10 11 1 0 0 0 0 12 11 2 0 0 0 0 11 16 1 0 0 0 0 12 15 1 0 0 0 0 16 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 12 17 1 0 0 0 0 14 18 1 0 0 0 0 16 19 1 0 0 0 0 8 22 1 0 0 0 0 22 20 1 0 0 0 0 2 21 1 0 0 0 0 21 23 1 0 0 0 0 27 23 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 25 28 2 0 0 0 0 28 27 1 0 0 0 0 M END > (732) 860 > (732) C19H14Cl3N5O > (732) 434.70636 > (732) CDK-2 > (732) 6009 > (732) 17 > (732) 730 $$$$ pyrazolo[3,4-d]pyrimidin-4-one deriv. 19h csChFnd80/03251016402D 29 32 0 0 0 0 0 0 0 0999 V2000 -0.8750 1.6688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5895 0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1605 0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1605 1.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 2.4938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 0.0187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5895 1.2563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6241 1.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 0.8437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6241 0.1763 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2074 -0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 0.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 -1.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6363 -1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6363 -0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2074 -1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 0.8304 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3508 -1.6446 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4929 -1.6446 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6760 2.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3040 0.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8791 2.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0185 0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7460 1.6611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4560 1.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4474 0.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0272 1.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7286 0.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1575 -0.0038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 4 1 0 0 0 0 7 2 1 0 0 0 0 2 6 2 0 0 0 0 6 3 1 0 0 0 0 10 3 1 0 0 0 0 3 4 2 0 0 0 0 8 4 1 0 0 0 0 10 9 1 0 0 0 0 9 8 2 0 0 0 0 1 5 2 0 0 0 0 10 11 1 0 0 0 0 12 11 2 0 0 0 0 11 16 1 0 0 0 0 12 15 1 0 0 0 0 16 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 12 17 1 0 0 0 0 14 18 1 0 0 0 0 16 19 1 0 0 0 0 8 22 1 0 0 0 0 22 20 1 0 0 0 0 2 21 1 0 0 0 0 21 23 1 0 0 0 0 28 23 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 27 2 0 0 0 0 25 26 2 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 M END > (733) 861 > (733) C20H16Cl3N5O > (733) 448.73294 > (733) CDK-2 > (733) 6008 > (733) 40 > (733) 731 $$$$ pyrazolo[3,4-d]pyrimidin-4-one deriv. 19g csChFnd80/03251016402D 30 33 0 0 0 0 0 0 0 0999 V2000 -0.8750 1.6688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5895 0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1605 0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1605 1.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 2.4938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 0.0187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5895 1.2563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6241 1.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 0.8437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6241 0.1763 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2074 -0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 0.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 -1.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6363 -1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6363 -0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2074 -1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 0.8304 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3508 -1.6446 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4929 -1.6446 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6760 2.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3040 0.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8791 2.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0185 0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7460 1.6611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4560 1.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4474 0.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0272 1.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7286 0.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1488 -0.8288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1575 -0.0038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 4 1 0 0 0 0 7 2 1 0 0 0 0 2 6 2 0 0 0 0 6 3 1 0 0 0 0 10 3 1 0 0 0 0 3 4 2 0 0 0 0 8 4 1 0 0 0 0 10 9 1 0 0 0 0 9 8 2 0 0 0 0 1 5 2 0 0 0 0 10 11 1 0 0 0 0 12 11 2 0 0 0 0 11 16 1 0 0 0 0 12 15 1 0 0 0 0 16 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 12 17 1 0 0 0 0 14 18 1 0 0 0 0 16 19 1 0 0 0 0 8 22 1 0 0 0 0 22 20 1 0 0 0 0 2 21 1 0 0 0 0 21 23 1 0 0 0 0 28 23 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 27 2 0 0 0 0 25 26 2 0 0 0 0 26 28 1 0 0 0 0 26 30 1 0 0 0 0 30 29 1 0 0 0 0 M END > (734) 862 > (734) C21H17Cl3N4O2 > (734) 463.74428 > (734) CDK-2 > (734) 6007 > (734) 32 > (734) 732 $$$$ pyrazolo[3,4-d]pyrimidin-4-one deriv. 19p csChFnd80/03251016402D 31 34 0 0 0 0 0 0 0 0999 V2000 -0.8750 1.6688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5895 0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1605 0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1605 1.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 2.4938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 0.0187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5895 1.2563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6241 1.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 0.8437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6241 0.1763 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2074 -0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 0.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 -1.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6363 -1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6363 -0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2074 -1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 0.8304 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3508 -1.6446 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4929 -1.6446 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6760 2.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3040 0.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8791 2.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0185 0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7460 1.6611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0272 1.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7286 0.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4474 0.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4560 1.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1748 1.6461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8849 1.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1575 -0.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 4 1 0 0 0 0 7 2 1 0 0 0 0 2 6 2 0 0 0 0 6 3 1 0 0 0 0 10 3 1 0 0 0 0 3 4 2 0 0 0 0 8 4 1 0 0 0 0 10 9 1 0 0 0 0 9 8 2 0 0 0 0 1 5 2 0 0 0 0 10 11 1 0 0 0 0 12 11 2 0 0 0 0 11 16 1 0 0 0 0 12 15 1 0 0 0 0 16 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 12 17 1 0 0 0 0 14 18 1 0 0 0 0 16 19 1 0 0 0 0 8 22 1 0 0 0 0 22 20 1 0 0 0 0 2 21 1 0 0 0 0 21 23 1 0 0 0 0 26 23 2 0 0 0 0 23 25 1 0 0 0 0 24 28 1 0 0 0 0 24 25 2 0 0 0 0 28 27 2 0 0 0 0 27 26 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 27 31 1 0 0 0 0 M END > (740) 868 > (740) C22H19Cl3N4O2 > (740) 477.77086 > (740) CDK-2 > (740) 6016 > (740) 67 > (740) 738 $$$$ pyrazolo[3,4-d]pyrimidin-4-one deriv. 19m csChFnd80/03251016402D 29 32 0 0 0 0 0 0 0 0999 V2000 -0.8750 1.6688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5895 0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1605 0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1605 1.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 2.4938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 0.0187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5895 1.2563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6241 1.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 0.8437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6241 0.1763 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2074 -0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 0.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 -1.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6363 -1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6363 -0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2074 -1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 0.8304 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3508 -1.6446 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4929 -1.6446 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6760 2.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3040 0.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8791 2.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0185 0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7460 1.6611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0272 1.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7286 0.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4474 0.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4560 1.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1748 1.6461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 4 1 0 0 0 0 7 2 1 0 0 0 0 2 6 2 0 0 0 0 6 3 1 0 0 0 0 10 3 1 0 0 0 0 3 4 2 0 0 0 0 8 4 1 0 0 0 0 10 9 1 0 0 0 0 9 8 2 0 0 0 0 1 5 2 0 0 0 0 10 11 1 0 0 0 0 12 11 2 0 0 0 0 11 16 1 0 0 0 0 12 15 1 0 0 0 0 16 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 12 17 1 0 0 0 0 14 18 1 0 0 0 0 16 19 1 0 0 0 0 8 22 1 0 0 0 0 22 20 1 0 0 0 0 2 21 1 0 0 0 0 21 23 1 0 0 0 0 26 23 2 0 0 0 0 23 25 1 0 0 0 0 24 28 1 0 0 0 0 24 25 2 0 0 0 0 28 27 2 0 0 0 0 27 26 1 0 0 0 0 28 29 1 0 0 0 0 M END > (741) 869 > (741) C20H15Cl3N4O2 > (741) 449.7177 > (741) CDK-2 > (741) 6013 > (741) 16 > (741) 739 $$$$ pyrazolo[3,4-d]pyrimidin-4-one deriv. 19k csChFnd80/03251016402D 29 32 0 0 0 0 0 0 0 0999 V2000 -0.8750 1.6688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5895 0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1605 0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1605 1.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 2.4938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 0.0187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5895 1.2563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6241 1.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 0.8437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6241 0.1763 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2074 -0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 0.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 -1.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6363 -1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6363 -0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2074 -1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 0.8304 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3508 -1.6446 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4929 -1.6446 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6760 2.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3040 0.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8791 2.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0185 0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7460 1.6611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0272 1.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7286 0.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4474 0.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4560 1.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1748 1.6461 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 4 1 0 0 0 0 7 2 1 0 0 0 0 2 6 2 0 0 0 0 6 3 1 0 0 0 0 10 3 1 0 0 0 0 3 4 2 0 0 0 0 8 4 1 0 0 0 0 10 9 1 0 0 0 0 9 8 2 0 0 0 0 1 5 2 0 0 0 0 10 11 1 0 0 0 0 12 11 2 0 0 0 0 11 16 1 0 0 0 0 12 15 1 0 0 0 0 16 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 12 17 1 0 0 0 0 14 18 1 0 0 0 0 16 19 1 0 0 0 0 8 22 1 0 0 0 0 22 20 1 0 0 0 0 2 21 1 0 0 0 0 21 23 1 0 0 0 0 26 23 2 0 0 0 0 23 25 1 0 0 0 0 24 28 1 0 0 0 0 24 25 2 0 0 0 0 28 27 2 0 0 0 0 27 26 1 0 0 0 0 28 29 1 0 0 0 0 M END > (743) 871 > (743) C20H16Cl3N5O > (743) 448.73294 > (743) CDK-2 > (743) 6011 > (743) 15 > (743) 741 $$$$ pyrazolo[3,4-d]pyrimidin-4-one deriv. 19l csChFnd80/03251016402D 30 33 0 0 0 0 0 0 0 0999 V2000 -0.8750 1.6688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5895 0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1605 0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1605 1.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 2.4938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 0.0187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5895 1.2563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6241 1.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 0.8437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6241 0.1763 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2074 -0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 0.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 -1.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6363 -1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6363 -0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2074 -1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 0.8304 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3508 -1.6446 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4929 -1.6446 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6760 2.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3040 0.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8791 2.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0185 0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7460 1.6611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0272 1.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7286 0.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4474 0.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4560 1.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1748 1.6461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8849 1.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 4 1 0 0 0 0 7 2 1 0 0 0 0 2 6 2 0 0 0 0 6 3 1 0 0 0 0 10 3 1 0 0 0 0 3 4 2 0 0 0 0 8 4 1 0 0 0 0 10 9 1 0 0 0 0 9 8 2 0 0 0 0 1 5 2 0 0 0 0 10 11 1 0 0 0 0 12 11 2 0 0 0 0 11 16 1 0 0 0 0 12 15 1 0 0 0 0 16 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 12 17 1 0 0 0 0 14 18 1 0 0 0 0 16 19 1 0 0 0 0 8 22 1 0 0 0 0 22 20 1 0 0 0 0 2 21 1 0 0 0 0 21 23 1 0 0 0 0 26 23 2 0 0 0 0 23 25 1 0 0 0 0 24 28 1 0 0 0 0 24 25 2 0 0 0 0 28 27 2 0 0 0 0 27 26 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 M END > (745) 873 > (745) C21H17Cl3N4O2 > (745) 463.74428 > (745) CDK-2 > (745) 6012 > (745) 16 > (745) 743 $$$$ pyrazolo[3,4-d]pyrimidin-4-one deriv. 19j csChFnd80/03251016402D 28 31 0 0 0 0 0 0 0 0999 V2000 -0.8750 1.6688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5895 0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1605 0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1605 1.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 2.4938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 0.0187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5895 1.2563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6241 1.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 0.8437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6241 0.1763 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2074 -0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 0.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 -1.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6363 -1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6363 -0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2074 -1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 0.8304 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3508 -1.6446 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4929 -1.6446 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6760 2.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3040 0.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8791 2.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0185 0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7460 1.6611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0272 1.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7286 0.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4474 0.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4560 1.2411 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 4 1 0 0 0 0 7 2 1 0 0 0 0 2 6 2 0 0 0 0 6 3 1 0 0 0 0 10 3 1 0 0 0 0 3 4 2 0 0 0 0 8 4 1 0 0 0 0 10 9 1 0 0 0 0 9 8 2 0 0 0 0 1 5 2 0 0 0 0 10 11 1 0 0 0 0 12 11 2 0 0 0 0 11 16 1 0 0 0 0 12 15 1 0 0 0 0 16 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 12 17 1 0 0 0 0 14 18 1 0 0 0 0 16 19 1 0 0 0 0 8 22 1 0 0 0 0 22 20 1 0 0 0 0 2 21 1 0 0 0 0 21 23 1 0 0 0 0 26 23 2 0 0 0 0 23 25 1 0 0 0 0 24 28 1 0 0 0 0 24 25 2 0 0 0 0 28 27 2 0 0 0 0 27 26 1 0 0 0 0 M END > (748) 876 > (748) C19H14Cl3N5O > (748) 434.70636 > (748) CDK-2 > (748) 6010 > (748) 38 > (748) 746 $$$$ N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 66 csChFnd80/03251016402D 28 31 0 0 0 0 0 0 0 0999 V2000 5.8327 -1.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5472 -2.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5472 -2.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2616 -3.3151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8327 -3.3151 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1183 -2.8714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1183 -2.0464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4039 -1.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6894 -2.8714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6894 -2.0464 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4039 -3.2839 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9749 -3.2839 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9749 -4.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2604 -4.5214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2604 -5.3464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9749 -5.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6894 -5.3464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6894 -4.5214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6894 -7.8214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6894 -6.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2604 -6.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2604 -7.8214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9749 -6.5839 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9749 -8.2339 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9749 -9.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8194 -4.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0984 -4.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5272 -4.5639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 3 2 0 0 0 0 5 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 6 5 1 0 0 0 0 11 6 2 0 0 0 0 7 6 1 0 0 0 0 8 7 2 0 0 0 0 8 10 1 0 0 0 0 10 9 2 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 16 23 1 0 0 0 0 20 23 1 0 0 0 0 23 21 1 0 0 0 0 24 19 1 0 0 0 0 24 22 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 24 25 1 0 0 0 0 5 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 M END > (761) 889 > (761) C21H26N6O > (761) 378.47074 > (761) CDK-2 > (761) 6274 > (761) 270 > (761) 759 $$$$ N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 70 csChFnd80/03251016402D 31 35 0 0 0 0 0 0 0 0999 V2000 5.8327 -1.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5472 -2.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5472 -2.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2616 -3.3151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8327 -3.3151 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1183 -2.8714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1183 -2.0464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4039 -1.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6894 -2.8714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6894 -2.0464 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4039 -3.2839 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9749 -3.2839 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9749 -4.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2604 -4.5214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2604 -5.3464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9749 -5.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6894 -5.3464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6894 -4.5214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6894 -7.8214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6894 -6.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2604 -6.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2604 -7.8214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9749 -6.5839 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9749 -8.2339 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9749 -9.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8194 -4.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1049 -4.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1049 -5.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8194 -5.7900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5339 -5.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5339 -4.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 3 2 0 0 0 0 5 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 6 5 1 0 0 0 0 11 6 2 0 0 0 0 7 6 1 0 0 0 0 8 7 2 0 0 0 0 8 10 1 0 0 0 0 10 9 2 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 16 23 1 0 0 0 0 20 23 1 0 0 0 0 23 21 1 0 0 0 0 24 19 1 0 0 0 0 24 22 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 24 25 1 0 0 0 0 5 26 1 0 0 0 0 26 27 1 0 0 0 0 26 31 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 M END > (762) 890 > (762) C24H30N6O > (762) 418.5346 > (762) CDK-2 > (762) 6278 > (762) 20 > (762) 760 $$$$ N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 40 csChFnd80/03251016402D 21 23 0 0 0 0 0 0 0 0999 V2000 -1.2500 1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5355 0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5355 1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1789 0.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 0.1125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9645 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9645 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6789 1.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3934 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3934 1.3813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6789 0.1437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1079 0.1437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1079 -0.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8224 -1.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8224 -1.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1079 -2.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3934 -1.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3934 -1.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5355 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5355 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 3 2 0 0 0 0 6 5 1 0 0 0 0 5 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 5 19 1 0 0 0 0 11 6 1 0 0 0 0 7 6 2 0 0 0 0 8 7 1 0 0 0 0 8 10 2 0 0 0 0 10 9 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 M END > (776) 904 > (776) C16H16N4O > (776) 280.32444 > (776) CDK-2 > (776) 6248 > (776) 112 > (776) 774 $$$$ C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 23 csChFnd80/03251016402D 28 30 0 0 0 0 0 0 0 0999 V2000 -1.2500 1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5355 0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5355 1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1789 0.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 0.1125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5355 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9645 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9645 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6789 1.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3934 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3934 1.3813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6789 0.1437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1079 0.1437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8223 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5368 1.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2512 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5368 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8223 1.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2512 1.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9657 0.1437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9657 -0.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6802 -1.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3946 -0.6813 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.6802 -1.9188 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.9657 -1.5063 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -8.3947 -1.5063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1407 -0.6813 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 3 2 0 0 0 0 8 5 1 0 0 0 0 5 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 13 8 1 0 0 0 0 9 8 2 0 0 0 0 10 9 1 0 0 0 0 10 12 2 0 0 0 0 12 11 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 18 15 2 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 16 19 2 0 0 0 0 20 17 2 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 25 1 0 0 0 0 23 24 1 0 0 0 0 22 26 1 0 0 0 0 23 27 1 0 0 0 0 22 28 1 0 0 0 0 M END > (780) 908 > (780) C17H14F4N4O2 > (780) 382.3122728 > (780) CDK-2 > (780) 6231 > (780) 1200 > (780) 778 $$$$ pyrazolo[3,4-d]pyrimidin-4-one deriv. 24b csChFnd80/03251016402D 40 43 0 0 0 0 0 0 0 0999 V2000 -0.8750 1.6688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5895 0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1605 0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1605 1.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 2.4938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 0.0187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5895 1.2563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6241 1.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 0.8437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6241 0.1763 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2074 -0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 0.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 -1.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6363 -1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6363 -0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2074 -1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 0.8304 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3508 -1.6446 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4929 -1.6446 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6760 2.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3040 0.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8791 2.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0185 0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7460 1.6611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0272 1.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7286 0.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4474 0.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4560 1.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1748 1.6461 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8849 1.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8762 0.4012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6037 1.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3138 1.2111 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.0326 1.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0326 2.4411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7427 1.1961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1716 1.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0448 2.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4615 1.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8781 2.1845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 4 1 0 0 0 0 7 2 1 0 0 0 0 2 6 2 0 0 0 0 6 3 1 0 0 0 0 10 3 1 0 0 0 0 3 4 2 0 0 0 0 8 4 1 0 0 0 0 10 9 1 0 0 0 0 9 8 2 0 0 0 0 1 5 2 0 0 0 0 10 11 1 0 0 0 0 12 11 2 0 0 0 0 11 16 1 0 0 0 0 12 15 1 0 0 0 0 16 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 12 17 1 0 0 0 0 14 18 1 0 0 0 0 16 19 1 0 0 0 0 8 22 1 0 0 0 0 22 20 1 0 0 0 0 2 21 1 0 0 0 0 21 23 1 0 0 0 0 26 23 2 0 0 0 0 23 25 1 0 0 0 0 24 28 1 0 0 0 0 24 25 2 0 0 0 0 28 27 2 0 0 0 0 27 26 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 32 1 0 0 0 0 30 31 2 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 36 1 0 0 0 0 34 35 2 0 0 0 0 36 39 1 0 0 0 0 39 37 1 0 0 0 0 39 38 1 0 0 0 0 39 40 1 0 0 0 0 M END > (781) 909 > (781) C27H27Cl3N6O4 > (781) 605.90008 > (781) CDK-2 > (781) 6028 > (781) 16 > (781) 779 $$$$ pyrazolo[3,4-d]pyrimidin-4-one deriv. 24c csChFnd80/03251016402D 33 36 0 0 0 0 0 0 0 0999 V2000 -0.8750 1.6688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5895 0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1605 0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1605 1.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 2.4938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 0.0187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5895 1.2563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6241 1.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 0.8437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6241 0.1763 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2074 -0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 0.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 -1.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6363 -1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6363 -0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2074 -1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 0.8304 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3508 -1.6446 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4929 -1.6446 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6760 2.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3040 0.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8791 2.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0185 0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7460 1.6611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0272 1.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7286 0.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4474 0.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4560 1.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1748 1.6461 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8849 1.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8762 0.4012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6037 1.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3138 1.2111 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 4 1 0 0 0 0 7 2 1 0 0 0 0 2 6 2 0 0 0 0 6 3 1 0 0 0 0 10 3 1 0 0 0 0 3 4 2 0 0 0 0 8 4 1 0 0 0 0 10 9 1 0 0 0 0 9 8 2 0 0 0 0 1 5 2 0 0 0 0 10 11 1 0 0 0 0 12 11 2 0 0 0 0 11 16 1 0 0 0 0 12 15 1 0 0 0 0 16 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 12 17 1 0 0 0 0 14 18 1 0 0 0 0 16 19 1 0 0 0 0 8 22 1 0 0 0 0 22 20 1 0 0 0 0 2 21 1 0 0 0 0 21 23 1 0 0 0 0 26 23 2 0 0 0 0 23 25 1 0 0 0 0 24 28 1 0 0 0 0 24 25 2 0 0 0 0 28 27 2 0 0 0 0 27 26 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 32 1 0 0 0 0 30 31 2 0 0 0 0 32 33 1 0 0 0 0 M END > (783) 911 > (783) C22H19Cl3N6O2 > (783) 505.78426 > (783) CDK-2 > (783) 6029 > (783) 13 > (783) 781 $$$$ pyrazolo[3,4-d]pyrimidin-4-one deriv. 24d csChFnd80/03251016402D 35 38 0 0 0 0 0 0 0 0999 V2000 -0.8750 1.6688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5895 0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1605 0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1605 1.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 2.4938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 0.0187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5895 1.2563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6241 1.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 0.8437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6241 0.1763 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2074 -0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 0.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 -1.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6363 -1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6363 -0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2074 -1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 0.8304 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3508 -1.6446 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4929 -1.6446 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6760 2.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3040 0.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8791 2.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0185 0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7460 1.6611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0272 1.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7286 0.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4474 0.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4560 1.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1748 1.6461 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8849 1.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8762 0.4012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6037 1.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3138 1.2111 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.0326 1.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3051 0.3862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 4 1 0 0 0 0 7 2 1 0 0 0 0 2 6 2 0 0 0 0 6 3 1 0 0 0 0 10 3 1 0 0 0 0 3 4 2 0 0 0 0 8 4 1 0 0 0 0 10 9 1 0 0 0 0 9 8 2 0 0 0 0 1 5 2 0 0 0 0 10 11 1 0 0 0 0 12 11 2 0 0 0 0 11 16 1 0 0 0 0 12 15 1 0 0 0 0 16 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 12 17 1 0 0 0 0 14 18 1 0 0 0 0 16 19 1 0 0 0 0 8 22 1 0 0 0 0 22 20 1 0 0 0 0 2 21 1 0 0 0 0 21 23 1 0 0 0 0 26 23 2 0 0 0 0 23 25 1 0 0 0 0 24 28 1 0 0 0 0 24 25 2 0 0 0 0 28 27 2 0 0 0 0 27 26 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 32 1 0 0 0 0 30 31 2 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 M END > (785) 913 > (785) C24H23Cl3N6O2 > (785) 533.83742 > (785) CDK-2 > (785) 6030 > (785) 18 > (785) 783 $$$$ Oxindole-Based Inhibitor 86 csChFnd80/03251016402D 32 36 0 0 0 0 0 0 0 0999 V2000 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 6.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 6.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 3.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6716 3.0382 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8276 2.3708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1847 7.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9938 7.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2587 8.0436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8464 8.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1522 9.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0657 8.2149 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3986 9.3711 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23 2 2 0 0 0 0 21 18 2 0 0 0 0 18 1 1 0 0 0 0 1 4 2 0 0 0 0 3 2 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 4 1 0 0 0 0 6 7 2 0 0 0 0 3 19 2 0 0 0 0 19 8 1 0 0 0 0 8 9 1 0 0 0 0 12 9 2 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 10 16 1 0 0 0 0 16 20 1 0 0 0 0 16 15 2 0 0 0 0 16 17 2 0 0 0 0 20 26 1 0 0 0 0 25 21 1 0 0 0 0 24 22 1 0 0 0 0 24 23 1 0 0 0 0 22 25 2 0 0 0 0 23 21 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 29 28 2 0 0 0 0 28 31 1 0 0 0 0 32 29 1 0 0 0 0 32 30 2 0 0 0 0 31 30 1 0 0 0 0 M END > (786) 914 > (786) C21H18N6O3S2 > (786) 466.53602 > (786) CDK-2 > (786) 7750 > (786) 3.6 > (786) 784 $$$$ Oxindole-Based Inhibitor 90 csChFnd80/03251016402D 31 35 0 0 0 0 0 0 0 0999 V2000 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 6.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 6.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 3.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6716 3.0382 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8276 2.3708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1847 7.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9596 8.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6648 7.7416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9994 7.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2942 8.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7743 8.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23 2 2 0 0 0 0 21 18 2 0 0 0 0 18 1 1 0 0 0 0 1 4 2 0 0 0 0 3 2 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 4 1 0 0 0 0 6 7 2 0 0 0 0 3 19 2 0 0 0 0 19 8 1 0 0 0 0 8 9 1 0 0 0 0 12 9 2 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 10 16 1 0 0 0 0 16 20 1 0 0 0 0 16 15 2 0 0 0 0 16 17 2 0 0 0 0 20 26 1 0 0 0 0 25 21 1 0 0 0 0 24 22 1 0 0 0 0 24 23 1 0 0 0 0 22 25 2 0 0 0 0 23 21 1 0 0 0 0 28 26 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 31 2 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 M END > (788) 916 > (788) C22H16N4O3S2 > (788) 448.51744 > (788) CDK-2 > (788) 7754 > (788) 4.3 > (788) 786 $$$$ Oxindole-Based Inhibitor 89 csChFnd80/03251016402D 39 42 0 0 0 0 0 0 0 0999 V2000 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 6.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 6.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 3.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6716 3.0382 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8276 2.3708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1847 7.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9938 7.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2587 8.0436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0678 8.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3327 8.9862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1417 9.1475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4065 9.9288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2156 10.0902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4804 10.8715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2895 11.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5544 11.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3634 11.9755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6283 12.7568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4640 5.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23 2 2 0 0 0 0 21 18 2 0 0 0 0 18 1 1 0 0 0 0 1 4 2 0 0 0 0 3 2 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 4 1 0 0 0 0 6 7 2 0 0 0 0 3 19 2 0 0 0 0 19 8 1 0 0 0 0 8 9 1 0 0 0 0 12 9 2 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 10 16 1 0 0 0 0 16 20 1 0 0 0 0 16 15 2 0 0 0 0 16 17 2 0 0 0 0 20 26 1 0 0 0 0 25 21 1 0 0 0 0 24 22 1 0 0 0 0 24 23 1 0 0 0 0 22 25 2 0 0 0 0 23 21 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 20 39 1 0 0 0 0 M END > (789) 917 > (789) C26H32N4O7S2 > (789) 576.68488 > (789) CDK-2 > (789) 7753 > (789) 1 > (789) 787 $$$$ Oxindole-Based Inhibitor 88 csChFnd80/03251016402D 38 41 0 0 0 0 0 0 0 0999 V2000 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 6.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 6.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 3.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6716 3.0382 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8276 2.3708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1847 7.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9938 7.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2587 8.0436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0678 8.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3327 8.9862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1417 9.1475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4065 9.9288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2156 10.0902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4804 10.8715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2895 11.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5544 11.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3634 11.9755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6283 12.7568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23 2 2 0 0 0 0 21 18 2 0 0 0 0 18 1 1 0 0 0 0 1 4 2 0 0 0 0 3 2 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 4 1 0 0 0 0 6 7 2 0 0 0 0 3 19 2 0 0 0 0 19 8 1 0 0 0 0 8 9 1 0 0 0 0 12 9 2 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 10 16 1 0 0 0 0 16 20 1 0 0 0 0 16 15 2 0 0 0 0 16 17 2 0 0 0 0 20 26 1 0 0 0 0 25 21 1 0 0 0 0 24 22 1 0 0 0 0 24 23 1 0 0 0 0 22 25 2 0 0 0 0 23 21 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 M END > (790) 918 > (790) C25H30N4O7S2 > (790) 562.6583 > (790) CDK-2 > (790) 7752 > (790) 4.5 > (790) 788 $$$$ Oxindole-Based Inhibitor 87 csChFnd80/03251016402D 31 34 0 0 0 0 0 0 0 0999 V2000 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 6.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 6.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 3.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6716 3.0382 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8276 2.3708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1847 7.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9938 7.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2587 8.0436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0678 8.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3327 8.9862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1417 9.1475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23 2 2 0 0 0 0 21 18 2 0 0 0 0 18 1 1 0 0 0 0 1 4 2 0 0 0 0 3 2 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 4 1 0 0 0 0 6 7 2 0 0 0 0 3 19 2 0 0 0 0 19 8 1 0 0 0 0 8 9 1 0 0 0 0 12 9 2 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 10 16 1 0 0 0 0 16 20 1 0 0 0 0 16 15 2 0 0 0 0 16 17 2 0 0 0 0 20 26 1 0 0 0 0 25 21 1 0 0 0 0 24 22 1 0 0 0 0 24 23 1 0 0 0 0 22 25 2 0 0 0 0 23 21 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 M END > (791) 919 > (791) C20H20N4O5S2 > (791) 460.5266 > (791) CDK-2 > (791) 7751 > (791) 0.54 > (791) 789 $$$$ H724 csChFnd80/03251016402D 31 35 0 0 0 0 0 0 0 0999 V2000 -0.6250 2.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3395 0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3395 1.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 0.3625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0895 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0895 0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3590 1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8741 1.8550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8741 0.5201 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1291 -0.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9136 -0.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6439 -0.9317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1285 -1.5993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9132 -1.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0539 0.3625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7684 0.7750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5187 1.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2208 1.5580 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1967 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4705 0.3418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7925 1.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9470 1.9495 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 2.8375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0895 3.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1240 4.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9145 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5645 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1520 3.9645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3270 3.9645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3270 2.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1520 2.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 5 1 0 0 0 0 3 2 1 0 0 0 0 2 4 2 0 0 0 0 4 6 1 0 0 0 0 8 5 1 0 0 0 0 8 7 2 0 0 0 0 6 9 1 0 0 0 0 9 7 1 0 0 0 0 6 5 2 0 0 0 0 9 10 1 0 0 0 0 11 10 1 0 0 0 0 10 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 2 15 1 0 0 0 0 16 15 1 6 0 0 0 20 16 1 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 18 22 1 1 0 0 0 1 23 1 0 0 0 0 23 24 1 0 0 0 0 24 26 1 0 0 0 0 24 25 1 6 0 0 0 29 26 2 0 0 0 0 26 30 1 0 0 0 0 27 28 2 0 0 0 0 27 31 1 0 0 0 0 28 29 1 0 0 0 0 30 31 2 0 0 0 0 M END > (792) 920 > (792) C24H33N7 > (792) 419.56572 > (792) CDK-2 > (792) 11461 > (792) 720 > (792) 790 $$$$ diarylurea deriv. 1 csChFnd80/03251016402D 23 26 0 0 0 0 0 0 0 0999 V2000 0.3750 3.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3395 2.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0895 2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0895 2.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3395 2.1500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 0.9125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3395 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3395 -0.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0539 0.9125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7684 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1973 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4829 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7684 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1973 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4829 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8104 1.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6544 1.7194 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9319 3.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6464 2.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3188 2.4731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4749 1.8057 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6174 0.8805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 2 6 2 0 0 0 0 6 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 14 11 2 0 0 0 0 16 11 1 0 0 0 0 15 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 15 17 1 0 0 0 0 16 15 2 0 0 0 0 16 18 1 0 0 0 0 22 17 1 0 0 0 0 20 22 1 0 0 0 0 18 22 1 0 0 0 0 18 21 1 6 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 17 23 2 0 0 0 0 M END > (794) 922 > (794) C17H16N4O2 > (794) 308.33454 > (794) CDK-2 > (794) 6619 > (794) 78 > (794) 792 $$$$ Oxindole-Based Inhibitor 82 csChFnd80/03251016402D 26 29 0 0 0 0 0 0 0 0999 V2000 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 6.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 6.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2144 3.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9289 3.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 3.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9289 2.2313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20 2 2 0 0 0 0 21 19 2 0 0 0 0 19 1 1 0 0 0 0 1 4 2 0 0 0 0 3 2 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 4 1 0 0 0 0 6 7 2 0 0 0 0 3 26 2 0 0 0 0 26 8 1 0 0 0 0 8 9 1 0 0 0 0 12 9 2 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 10 16 1 0 0 0 0 16 18 1 0 0 0 0 16 15 2 0 0 0 0 16 17 2 0 0 0 0 20 24 1 0 0 0 0 20 21 1 0 0 0 0 25 21 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 23 25 2 0 0 0 0 M END > (795) 923 > (795) C18H14N4O3S > (795) 366.39376 > (795) CDK-2 > (795) 7746 > (795) 1.5 > (795) 793 $$$$ Oxindole-Based Inhibitor 83 csChFnd80/03251016402D 26 29 0 0 0 0 0 0 0 0999 V2000 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 6.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 6.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1847 7.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 3.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6716 3.0382 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8276 2.3708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24 2 2 0 0 0 0 22 18 2 0 0 0 0 18 1 1 0 0 0 0 1 4 2 0 0 0 0 3 2 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 4 1 0 0 0 0 6 7 2 0 0 0 0 3 19 2 0 0 0 0 19 8 1 0 0 0 0 8 9 1 0 0 0 0 12 9 2 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 10 16 1 0 0 0 0 16 20 1 0 0 0 0 16 15 2 0 0 0 0 16 17 2 0 0 0 0 20 21 1 0 0 0 0 26 22 1 0 0 0 0 25 23 1 0 0 0 0 25 24 1 0 0 0 0 23 26 2 0 0 0 0 24 22 1 0 0 0 0 M END > (796) 924 > (796) C17H14N4O3S2 > (796) 386.44806 > (796) CDK-2 > (796) 7747 > (796) 5.6 > (796) 794 $$$$ Oxindole-Based Inhibitor 80 csChFnd80/03251016402D 25 28 0 0 0 0 0 0 0 0999 V2000 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 6.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 6.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 3.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6716 3.0382 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8276 2.3708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22 2 2 0 0 0 0 20 19 2 0 0 0 0 19 1 1 0 0 0 0 1 4 2 0 0 0 0 3 2 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 4 1 0 0 0 0 6 7 2 0 0 0 0 3 25 2 0 0 0 0 25 8 1 0 0 0 0 8 9 1 0 0 0 0 12 9 2 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 10 16 1 0 0 0 0 16 18 1 0 0 0 0 16 15 2 0 0 0 0 16 17 2 0 0 0 0 24 20 1 0 0 0 0 23 21 1 0 0 0 0 23 22 1 0 0 0 0 21 24 2 0 0 0 0 22 20 1 0 0 0 0 M END > (797) 925 > (797) C16H12N4O3S2 > (797) 372.42148 > (797) CDK-2 > (797) 7744 > (797) 2.8 > (797) 795 $$$$ Oxindole-Based Inhibitor 81 csChFnd80/03251016402D 26 29 0 0 0 0 0 0 0 0999 V2000 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 6.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 6.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2144 3.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9289 3.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 3.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9289 2.2313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20 2 2 0 0 0 0 21 19 2 0 0 0 0 19 1 1 0 0 0 0 1 4 2 0 0 0 0 3 2 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 4 1 0 0 0 0 6 7 2 0 0 0 0 3 26 2 0 0 0 0 26 8 1 0 0 0 0 8 9 1 0 0 0 0 12 9 2 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 10 16 1 0 0 0 0 16 18 1 0 0 0 0 16 15 2 0 0 0 0 16 17 2 0 0 0 0 20 24 1 0 0 0 0 20 21 1 0 0 0 0 25 21 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 23 25 2 0 0 0 0 M END > (798) 926 > (798) C17H13N5O3S > (798) 367.38182 > (798) CDK-2 > (798) 7745 > (798) 1.6 > (798) 796 $$$$ Oxindole-Based Inhibitor 84 csChFnd80/03251016402D 27 30 0 0 0 0 0 0 0 0999 V2000 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 6.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 6.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1847 7.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 3.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6716 3.0382 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8276 2.3708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4640 5.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24 2 2 0 0 0 0 22 18 2 0 0 0 0 18 1 1 0 0 0 0 1 4 2 0 0 0 0 3 2 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 4 1 0 0 0 0 6 7 2 0 0 0 0 3 19 2 0 0 0 0 19 8 1 0 0 0 0 8 9 1 0 0 0 0 12 9 2 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 10 16 1 0 0 0 0 16 20 1 0 0 0 0 16 15 2 0 0 0 0 16 17 2 0 0 0 0 20 21 1 0 0 0 0 26 22 1 0 0 0 0 25 23 1 0 0 0 0 25 24 1 0 0 0 0 23 26 2 0 0 0 0 24 22 1 0 0 0 0 20 27 1 0 0 0 0 M END > (799) 927 > (799) C18H16N4O3S2 > (799) 400.47464 > (799) CDK-2 > (799) 7748 > (799) 4.6 > (799) 797 $$$$ Oxindole-Based Inhibitor 85 csChFnd80/03251016402D 28 31 0 0 0 0 0 0 0 0999 V2000 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 6.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 6.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 3.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6716 3.0382 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8276 2.3708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1847 7.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9938 7.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2587 8.0436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23 2 2 0 0 0 0 21 18 2 0 0 0 0 18 1 1 0 0 0 0 1 4 2 0 0 0 0 3 2 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 4 1 0 0 0 0 6 7 2 0 0 0 0 3 19 2 0 0 0 0 19 8 1 0 0 0 0 8 9 1 0 0 0 0 12 9 2 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 10 16 1 0 0 0 0 16 20 1 0 0 0 0 16 15 2 0 0 0 0 16 17 2 0 0 0 0 20 26 1 0 0 0 0 25 21 1 0 0 0 0 24 22 1 0 0 0 0 24 23 1 0 0 0 0 22 25 2 0 0 0 0 23 21 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 M END > (800) 928 > (800) C18H16N4O4S2 > (800) 416.47404 > (800) CDK-2 > (800) 7749 > (800) 4.7 > (800) 798 $$$$ Oxindole-Based Inhibitor 77 csChFnd80/03251016402D 26 29 0 0 0 0 0 0 0 0999 V2000 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 6.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 6.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6716 3.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 3.1245 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8276 2.3708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1196 3.6513 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 23 2 2 0 0 0 0 21 19 2 0 0 0 0 19 1 1 0 0 0 0 1 4 2 0 0 0 0 3 2 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 4 1 0 0 0 0 6 7 2 0 0 0 0 3 20 2 0 0 0 0 20 8 1 0 0 0 0 8 9 1 0 0 0 0 12 9 2 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 10 16 1 0 0 0 0 16 18 1 0 0 0 0 16 15 2 0 0 0 0 16 17 2 0 0 0 0 25 21 1 0 0 0 0 22 24 2 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 23 21 1 0 0 0 0 22 26 1 0 0 0 0 M END > (801) 929 > (801) C15H11ClN6O3S > (801) 390.80424 > (801) CDK-2 > (801) 7741 > (801) 2.2 > (801) 799 $$$$ Oxindole-Based Inhibitor 76 csChFnd80/03251016402D 25 28 0 0 0 0 0 0 0 0999 V2000 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 6.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 6.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6716 3.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 3.1245 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8276 2.3708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23 2 2 0 0 0 0 21 19 2 0 0 0 0 19 1 1 0 0 0 0 1 4 2 0 0 0 0 3 2 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 4 1 0 0 0 0 6 7 2 0 0 0 0 3 20 2 0 0 0 0 20 8 1 0 0 0 0 8 9 1 0 0 0 0 12 9 2 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 10 16 1 0 0 0 0 16 18 1 0 0 0 0 16 15 2 0 0 0 0 16 17 2 0 0 0 0 25 21 1 0 0 0 0 22 24 2 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 23 21 1 0 0 0 0 M END > (802) 930 > (802) C15H12N6O3S > (802) 356.35918 > (802) CDK-2 > (802) 7740 > (802) 13 > (802) 800 $$$$ Oxindole-Based Inhibitor 79 csChFnd80/03251016402D 25 28 0 0 0 0 0 0 0 0999 V2000 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 6.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 6.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 3.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6716 3.0382 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8276 2.3708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23 2 2 0 0 0 0 21 19 2 0 0 0 0 19 1 1 0 0 0 0 1 4 2 0 0 0 0 3 2 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 4 1 0 0 0 0 6 7 2 0 0 0 0 3 20 2 0 0 0 0 20 8 1 0 0 0 0 8 9 1 0 0 0 0 12 9 2 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 10 16 1 0 0 0 0 16 18 1 0 0 0 0 16 15 2 0 0 0 0 16 17 2 0 0 0 0 25 21 1 0 0 0 0 24 22 1 0 0 0 0 24 23 1 0 0 0 0 22 25 2 0 0 0 0 23 21 1 0 0 0 0 M END > (803) 931 > (803) C15H11N5O3S2 > (803) 373.40954 > (803) CDK-2 > (803) 7743 > (803) 7.1 > (803) 801 $$$$ Oxindole-Based Inhibitor 78 csChFnd80/03251016402D 25 28 0 0 0 0 0 0 0 0999 V2000 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 6.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 6.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 3.1245 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8276 2.3708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6716 3.0382 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22 2 2 0 0 0 0 21 19 2 0 0 0 0 19 1 1 0 0 0 0 1 4 2 0 0 0 0 3 2 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 4 1 0 0 0 0 6 7 2 0 0 0 0 3 20 2 0 0 0 0 20 8 1 0 0 0 0 8 9 1 0 0 0 0 12 9 2 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 10 16 1 0 0 0 0 16 18 1 0 0 0 0 16 15 2 0 0 0 0 16 17 2 0 0 0 0 24 21 1 0 0 0 0 25 23 2 0 0 0 0 25 22 1 0 0 0 0 23 24 1 0 0 0 0 22 21 1 0 0 0 0 M END > (804) 932 > (804) C14H11N7O3S > (804) 357.34724 > (804) CDK-2 > (804) 7742 > (804) 9.5 > (804) 802 $$$$ C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 1 csChFnd80/03251016402D 20 22 0 0 0 0 0 0 0 0999 V2000 -1.2500 1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5355 0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5355 1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1789 0.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 0.1125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5355 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9645 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9645 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6789 1.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3934 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3934 1.3813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6789 0.1437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1079 0.1437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8223 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5368 1.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2513 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2513 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5368 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8223 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 3 2 0 0 0 0 8 5 1 0 0 0 0 5 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 13 8 1 0 0 0 0 9 8 2 0 0 0 0 10 9 1 0 0 0 0 10 12 2 0 0 0 0 12 11 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 19 15 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 20 2 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 M END > (805) 933 > (805) C15H14N4O > (805) 266.29786 > (805) CDK-2 > (805) 6221 > (805) 410 > (805) 803 $$$$ Oxindole-Based Inhibitor 73 csChFnd80/03251016402D 24 26 0 0 0 0 0 0 0 0999 V2000 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 6.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 6.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 3.0563 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 2 21 2 0 0 0 0 21 3 1 0 0 0 0 3 6 2 0 0 0 0 5 4 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 4 6 1 0 0 0 0 8 9 2 0 0 0 0 5 22 2 0 0 0 0 22 10 1 0 0 0 0 10 11 1 0 0 0 0 14 11 2 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 15 16 2 0 0 0 0 12 18 1 0 0 0 0 18 20 1 0 0 0 0 18 17 2 0 0 0 0 18 19 2 0 0 0 0 2 23 1 0 0 0 0 1 24 1 0 0 0 0 M END > (806) 934 > (806) C15H13ClN4O3S > (806) 364.80672 > (806) CDK-2 > (806) 7737 > (806) 13 > (806) 804 $$$$ Oxindole-Based Inhibitor 74 csChFnd80/03251016402D 25 27 0 0 0 0 0 0 0 0999 V2000 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 6.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 6.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 3.0563 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 2.2313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6435 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 2 21 2 0 0 0 0 21 3 1 0 0 0 0 3 6 2 0 0 0 0 5 4 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 4 6 1 0 0 0 0 8 9 2 0 0 0 0 5 22 2 0 0 0 0 22 10 1 0 0 0 0 10 11 1 0 0 0 0 14 11 2 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 15 16 2 0 0 0 0 12 18 1 0 0 0 0 18 20 1 0 0 0 0 18 17 2 0 0 0 0 18 19 2 0 0 0 0 2 24 1 0 0 0 0 1 23 1 0 0 0 0 24 25 1 0 0 0 0 M END > (807) 935 > (807) C15H13ClN4O4S > (807) 380.80612 > (807) CDK-2 > (807) 7738 > (807) 54 > (807) 805 $$$$ Oxindole-Based Inhibitor 75 csChFnd80/03251016402D 26 28 0 0 0 0 0 0 0 0999 V2000 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 6.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 6.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 3.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 2.2313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 3.0563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6435 1.8188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 2 21 2 0 0 0 0 21 3 1 0 0 0 0 3 6 2 0 0 0 0 5 4 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 4 6 1 0 0 0 0 8 9 2 0 0 0 0 5 22 2 0 0 0 0 22 10 1 0 0 0 0 10 11 1 0 0 0 0 14 11 2 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 15 16 2 0 0 0 0 12 18 1 0 0 0 0 18 20 1 0 0 0 0 18 17 2 0 0 0 0 18 19 2 0 0 0 0 2 24 1 0 0 0 0 1 23 1 0 0 0 0 24 26 2 0 0 0 0 24 25 2 0 0 0 0 M END > (808) 936 > (808) C15H13N5O5S > (808) 375.35922 > (808) CDK-2 > (808) 7739 > (808) 4.6 > (808) 806 $$$$ Oxindole-Based Inhibitor 68 csChFnd80/03251016402D 24 26 0 0 0 0 0 0 0 0999 V2000 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 6.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 6.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 -0.2438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 2 21 2 0 0 0 0 21 3 1 0 0 0 0 3 6 2 0 0 0 0 5 4 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 4 6 1 0 0 0 0 8 9 2 0 0 0 0 5 24 2 0 0 0 0 24 10 1 0 0 0 0 10 11 1 0 0 0 0 14 11 2 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 15 16 2 0 0 0 0 12 18 1 0 0 0 0 18 20 1 0 0 0 0 18 17 2 0 0 0 0 18 19 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 M END > (809) 937 > (809) C16H15N3O4S > (809) 345.373 > (809) CDK-2 > (809) 7732 > (809) 61 > (809) 807 $$$$ Oxindole-Based Inhibitor 66 csChFnd80/03251016402D 25 27 0 0 0 0 0 0 0 0999 V2000 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 6.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 6.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 -0.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6435 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 2 22 2 0 0 0 0 22 3 1 0 0 0 0 3 6 2 0 0 0 0 5 4 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 4 6 1 0 0 0 0 8 9 2 0 0 0 0 5 21 2 0 0 0 0 21 10 1 0 0 0 0 10 11 1 0 0 0 0 14 11 2 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 15 16 2 0 0 0 0 12 18 1 0 0 0 0 18 20 1 0 0 0 0 18 17 2 0 0 0 0 18 19 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 M END > (810) 938 > (810) C17H18N4O3S > (810) 358.41482 > (810) CDK-2 > (810) 7730 > (810) 75 > (810) 808 $$$$ Oxindole-Based Inhibitor 64 csChFnd80/03251016402D 23 25 0 0 0 0 0 0 0 0999 V2000 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 6.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 6.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 0.5812 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 2 22 2 0 0 0 0 22 3 1 0 0 0 0 3 6 2 0 0 0 0 5 4 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 4 6 1 0 0 0 0 8 9 2 0 0 0 0 5 21 2 0 0 0 0 21 10 1 0 0 0 0 10 11 1 0 0 0 0 14 11 2 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 15 16 2 0 0 0 0 12 18 1 0 0 0 0 18 20 1 0 0 0 0 18 17 2 0 0 0 0 18 19 2 0 0 0 0 22 23 1 0 0 0 0 M END > (811) 939 > (811) C14H11BrN4O3S > (811) 395.23114 > (811) CDK-2 > (811) 7728 > (811) 43 > (811) 809 $$$$ triazolo[1,5-a]pyrimidine 6 csChFnd80/03251016402D 27 30 0 0 0 0 0 0 0 0999 V2000 -1.0625 2.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7770 2.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7770 1.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0625 1.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 1.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 2.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4914 1.1437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4914 0.3187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2049 -0.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2029 -0.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7740 -0.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5055 -0.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4875 -1.3313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7760 -0.0920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9920 0.1648 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9888 -1.1700 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3664 3.6188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3664 2.7938 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1633 3.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7789 2.0793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9164 -1.3347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6309 -0.9222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3454 0.3153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0598 -0.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0598 -0.9222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3454 -1.3347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6309 -0.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 18 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 10 13 2 0 0 0 0 13 11 1 0 0 0 0 15 14 1 0 0 0 0 15 12 2 0 0 0 0 11 16 2 0 0 0 0 16 12 1 0 0 0 0 11 14 1 0 0 0 0 10 21 1 0 0 0 0 18 17 1 0 0 0 0 18 20 2 0 0 0 0 18 19 2 0 0 0 0 21 22 1 0 0 0 0 26 22 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 M END > (812) 940 > (812) C17H20N6O3S > (812) 388.4441 > (812) CDK-2 > (812) 11448 > (812) 350 > (812) 810 $$$$ Oxindole-Based Inhibitor 65 csChFnd80/03251016402D 24 26 0 0 0 0 0 0 0 0999 V2000 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 6.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 6.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 -0.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 2 22 2 0 0 0 0 22 3 1 0 0 0 0 3 6 2 0 0 0 0 5 4 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 4 6 1 0 0 0 0 8 9 2 0 0 0 0 5 21 2 0 0 0 0 21 10 1 0 0 0 0 10 11 1 0 0 0 0 14 11 2 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 15 16 2 0 0 0 0 12 18 1 0 0 0 0 18 20 1 0 0 0 0 18 17 2 0 0 0 0 18 19 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 M END > (813) 941 > (813) C16H16N4O3S > (813) 344.38824 > (813) CDK-2 > (813) 7729 > (813) 21 > (813) 811 $$$$ Oxindole-Based Inhibitor 62 csChFnd80/03251016402D 31 33 0 0 0 0 0 0 0 0999 V2000 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 6.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 6.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 3.0563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6435 1.8188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3580 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0725 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4850 2.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6600 1.1043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7870 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7870 0.5813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 7 1 0 0 0 0 9 10 2 0 0 0 0 6 24 2 0 0 0 0 24 11 1 0 0 0 0 11 12 1 0 0 0 0 15 12 2 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 16 17 2 0 0 0 0 13 19 1 0 0 0 0 19 21 1 0 0 0 0 19 18 2 0 0 0 0 19 20 2 0 0 0 0 2 22 1 0 0 0 0 22 25 1 0 0 0 0 22 23 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 30 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 30 31 1 0 0 0 0 M END > (814) 942 > (814) C20H23N5O5S > (814) 445.49212 > (814) CDK-2 > (814) 7726 > (814) 6.8 > (814) 812 $$$$ Oxindole-Based Inhibitor 63 csChFnd80/03251016402D 36 39 0 0 0 0 0 0 0 0999 V2000 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 6.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 6.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 3.0563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6435 1.8188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3580 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0725 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7870 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5014 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5014 0.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7870 0.5813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0725 0.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7870 3.0563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0725 3.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3580 0.5813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3580 -0.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 7 1 0 0 0 0 9 10 2 0 0 0 0 6 24 2 0 0 0 0 24 11 1 0 0 0 0 11 12 1 0 0 0 0 15 12 2 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 16 17 2 0 0 0 0 13 19 1 0 0 0 0 19 21 1 0 0 0 0 19 18 2 0 0 0 0 19 20 2 0 0 0 0 2 22 1 0 0 0 0 22 25 1 0 0 0 0 22 23 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 32 27 1 0 0 0 0 28 27 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 28 33 1 0 0 0 0 32 35 1 0 0 0 0 33 34 1 0 0 0 0 35 36 1 0 0 0 0 M END > (815) 943 > (815) C24H23N5O6S > (815) 509.53432 > (815) CDK-2 > (815) 7727 > (815) 1.7 > (815) 813 $$$$ Oxindole-Based Inhibitor 60 csChFnd80/03251016402D 32 35 0 0 0 0 0 0 0 0999 V2000 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 6.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 6.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 3.0563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6435 1.8188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3580 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0725 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7989 2.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5008 1.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7498 0.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0479 0.9941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4762 0.9516 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 7 1 0 0 0 0 9 10 2 0 0 0 0 6 24 2 0 0 0 0 24 11 1 0 0 0 0 11 12 1 0 0 0 0 15 12 2 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 16 17 2 0 0 0 0 13 19 1 0 0 0 0 19 21 1 0 0 0 0 19 18 2 0 0 0 0 19 20 2 0 0 0 0 2 22 1 0 0 0 0 22 25 1 0 0 0 0 22 23 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 31 27 1 0 0 0 0 28 27 2 0 0 0 0 28 29 1 0 0 0 0 29 32 2 0 0 0 0 32 30 1 0 0 0 0 30 31 2 0 0 0 0 M END > (816) 944 > (816) C21H18N6O4S > (816) 450.47042 > (816) CDK-2 > (816) 7724 > (816) 8.9 > (816) 814 $$$$ Oxindole-Based Inhibitor 61 csChFnd80/03251016402D 32 35 0 0 0 0 0 0 0 0999 V2000 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 6.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 6.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 3.0563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6435 1.8188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3580 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0725 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7989 2.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7498 0.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0479 0.9941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4762 0.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5008 1.7762 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 7 1 0 0 0 0 9 10 2 0 0 0 0 6 24 2 0 0 0 0 24 11 1 0 0 0 0 11 12 1 0 0 0 0 15 12 2 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 16 17 2 0 0 0 0 13 19 1 0 0 0 0 19 21 1 0 0 0 0 19 18 2 0 0 0 0 19 20 2 0 0 0 0 2 22 1 0 0 0 0 22 25 1 0 0 0 0 22 23 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 30 27 1 0 0 0 0 28 27 2 0 0 0 0 28 32 1 0 0 0 0 32 31 2 0 0 0 0 31 29 1 0 0 0 0 29 30 2 0 0 0 0 M END > (817) 945 > (817) C21H18N6O4S > (817) 450.47042 > (817) CDK-2 > (817) 7725 > (817) 2.1 > (817) 815 $$$$ Oxindole-Based Inhibitor 58 csChFnd80/03251016402D 32 35 0 0 0 0 0 0 0 0999 V2000 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 6.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 6.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 3.0563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6435 1.8188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3580 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0725 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7869 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4129 3.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5995 2.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9864 2.8171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6716 3.0481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 7 1 0 0 0 0 9 10 2 0 0 0 0 6 24 2 0 0 0 0 24 11 1 0 0 0 0 11 12 1 0 0 0 0 15 12 2 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 16 17 2 0 0 0 0 13 19 1 0 0 0 0 19 21 1 0 0 0 0 19 18 2 0 0 0 0 19 20 2 0 0 0 0 2 22 1 0 0 0 0 22 25 1 0 0 0 0 22 23 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 30 28 2 0 0 0 0 28 32 1 0 0 0 0 29 31 1 0 0 0 0 29 32 2 0 0 0 0 31 30 1 0 0 0 0 M END > (818) 946 > (818) C20H19N7O4S > (818) 453.47436 > (818) CDK-2 > (818) 7722 > (818) 12 > (818) 816 $$$$ Oxindole-Based Inhibitor 59 csChFnd80/03251016402D 33 36 0 0 0 0 0 0 0 0999 V2000 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 6.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 6.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 3.0563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6435 1.8188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3580 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0725 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7869 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2850 2.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2904 0.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5047 0.9939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5014 1.8188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7726 1.4115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 7 1 0 0 0 0 9 10 2 0 0 0 0 6 24 2 0 0 0 0 24 11 1 0 0 0 0 11 12 1 0 0 0 0 15 12 2 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 16 17 2 0 0 0 0 13 19 1 0 0 0 0 19 21 1 0 0 0 0 19 18 2 0 0 0 0 19 20 2 0 0 0 0 2 22 1 0 0 0 0 22 25 1 0 0 0 0 22 23 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 32 1 0 0 0 0 31 32 1 0 0 0 0 29 32 1 0 0 0 0 29 33 2 0 0 0 0 33 30 1 0 0 0 0 30 31 2 0 0 0 0 M END > (819) 947 > (819) C21H21N7O4S > (819) 467.50094 > (819) CDK-2 > (819) 7723 > (819) 25 > (819) 817 $$$$ Oxindole-Based Inhibitor 57 csChFnd80/03251016402D 27 29 0 0 0 0 0 0 0 0999 V2000 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 6.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 6.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 3.0563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6435 1.8188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3580 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6435 0.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 7 1 0 0 0 0 9 10 2 0 0 0 0 6 24 2 0 0 0 0 24 11 1 0 0 0 0 11 12 1 0 0 0 0 15 12 2 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 16 17 2 0 0 0 0 13 19 1 0 0 0 0 19 21 1 0 0 0 0 19 18 2 0 0 0 0 19 20 2 0 0 0 0 2 22 1 0 0 0 0 22 25 1 0 0 0 0 22 23 2 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 M END > (820) 948 > (820) C17H17N5O4S > (820) 387.41298 > (820) CDK-2 > (820) 7721 > (820) 17 > (820) 818 $$$$ Oxindole-Based Inhibitor 56 csChFnd80/03251016402D 25 27 0 0 0 0 0 0 0 0999 V2000 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 6.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 6.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 3.0563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6435 1.8188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 7 1 0 0 0 0 9 10 2 0 0 0 0 6 25 2 0 0 0 0 25 11 1 0 0 0 0 11 12 1 0 0 0 0 15 12 2 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 16 17 2 0 0 0 0 13 19 1 0 0 0 0 19 21 1 0 0 0 0 19 18 2 0 0 0 0 19 20 2 0 0 0 0 2 22 1 0 0 0 0 22 24 1 0 0 0 0 22 23 2 0 0 0 0 M END > (821) 949 > (821) C15H13N5O4S > (821) 359.35982 > (821) CDK-2 > (821) 7720 > (821) 4.5 > (821) 819 $$$$ SQ-67563 Analog 10e csChFnd80/03251016402D 21 23 0 0 0 0 0 0 0 0999 V2000 -2.1648 1.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1648 1.9938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4503 0.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7359 1.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4503 -0.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7359 -0.4813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7359 1.9938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 2.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6444 1.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4413 1.8374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0246 1.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0214 -0.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0214 0.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7632 1.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7632 -0.3237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2481 0.3437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8793 0.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2142 0.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9592 -0.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1342 -0.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5467 1.2412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17 1 1 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 4 3 1 0 0 0 0 3 5 2 0 0 0 0 4 13 2 0 0 0 0 5 6 1 0 0 0 0 6 12 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 15 12 1 0 0 0 0 12 13 1 0 0 0 0 14 13 1 0 0 0 0 15 16 1 0 0 0 0 16 14 2 0 0 0 0 20 17 2 0 0 0 0 21 17 1 0 0 0 0 21 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 M END > (822) 950 > (822) C15H15N3O3 > (822) 285.2979 > (822) CDK-2 > (822) 5769 > (822) 180 > (822) 820 $$$$ SQ-67563 csChFnd80/03251016402D 22 24 0 0 0 0 0 0 0 0999 V2000 -3.5938 1.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3082 0.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3082 -0.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5938 -0.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8793 -0.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8793 0.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1648 1.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1648 1.9938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4503 0.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7359 1.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4503 -0.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7359 -0.4813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7359 1.9938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 2.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6444 1.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4413 1.8374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0246 1.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0214 -0.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0214 0.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7632 1.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7632 -0.3237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2481 0.3437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 9 1 0 0 0 0 9 11 2 0 0 0 0 10 19 2 0 0 0 0 11 12 1 0 0 0 0 12 18 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 21 18 1 0 0 0 0 18 19 1 0 0 0 0 20 19 1 0 0 0 0 21 22 1 0 0 0 0 22 20 2 0 0 0 0 M END > (823) 951 > (823) C17H17N3O2 > (823) 295.33578 > (823) CDK-2 > (823) 5768 > (823) 110 > (823) 821 $$$$ triazolo[1,5-a]pyrimidine 15 csChFnd80/03251016402D 30 33 0 0 0 0 0 0 0 0999 V2000 -1.0625 2.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7770 2.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7770 1.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0625 1.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 1.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 2.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4914 1.1437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4914 0.3187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2049 -0.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2029 -0.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7740 -0.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5055 -0.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4875 -1.3313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7760 -0.0920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9920 0.1648 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9888 -1.1700 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3664 2.7938 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1633 3.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7789 2.0793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9164 -1.3347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9144 -2.1597 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6289 -2.5722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6289 -3.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9144 -3.8097 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1999 -3.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1999 -2.5722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9144 -4.6347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3664 3.6188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0809 4.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3481 4.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 17 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 10 13 2 0 0 0 0 13 11 1 0 0 0 0 15 14 1 0 0 0 0 15 12 2 0 0 0 0 11 16 2 0 0 0 0 16 12 1 0 0 0 0 11 14 1 0 0 0 0 10 20 1 0 0 0 0 17 28 1 0 0 0 0 17 19 2 0 0 0 0 17 18 2 0 0 0 0 21 20 1 1 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 24 27 1 6 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 M END > (824) 952 > (824) C19H26N8O2S > (824) 430.52714 > (824) CDK-2 > (824) 11453 > (824) 120 > (824) 822 $$$$ triazolo[1,5-a]pyrimidine 13 csChFnd80/03251016402D 25 27 0 0 0 0 0 0 0 0999 V2000 -1.0625 2.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7770 2.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7770 1.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0625 1.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 1.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 2.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4914 1.1437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4914 0.3187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2049 -0.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2029 -0.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7740 -0.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5055 -0.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4875 -1.3313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7760 -0.0920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9920 0.1648 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9888 -1.1700 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3664 3.6188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3664 2.7938 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1633 3.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7789 2.0793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9164 -1.3347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6318 -0.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3463 -1.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9144 -2.1597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6289 -2.5722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 18 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 10 13 2 0 0 0 0 13 11 1 0 0 0 0 15 14 1 0 0 0 0 15 12 2 0 0 0 0 11 16 2 0 0 0 0 16 12 1 0 0 0 0 11 14 1 0 0 0 0 10 21 1 0 0 0 0 18 17 1 0 0 0 0 18 20 2 0 0 0 0 18 19 2 0 0 0 0 21 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 M END > (826) 954 > (826) C15H19N7O2S > (826) 361.42206 > (826) CDK-2 > (826) 11451 > (826) 400 > (826) 824 $$$$ Oxindole-Based Inhibitor 55 csChFnd80/03251016402D 28 30 0 0 0 0 0 0 0 0999 V2000 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 6.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 6.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 3.0563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6434 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3579 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0724 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3579 3.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 7 1 0 0 0 0 9 10 2 0 0 0 0 6 22 2 0 0 0 0 22 11 1 0 0 0 0 11 12 1 0 0 0 0 15 12 2 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 16 17 2 0 0 0 0 13 19 1 0 0 0 0 19 21 1 0 0 0 0 19 18 2 0 0 0 0 19 20 2 0 0 0 0 2 23 1 0 0 0 0 23 25 1 0 0 0 0 23 24 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 M END > (827) 955 > (827) C20H21N3O4S > (827) 399.46344 > (827) CDK-2 > (827) 7719 > (827) 1.9 > (827) 825 $$$$ H327 csChFnd80/03251016402D 31 35 0 0 0 0 0 0 0 0999 V2000 -0.6250 2.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3395 0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3395 1.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 0.3625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0895 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0895 0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3590 1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8741 1.8550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8741 0.5201 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1291 -0.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9136 -0.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6439 -0.9317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1285 -1.5993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9132 -1.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0539 0.3625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7684 0.7750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5187 1.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2208 1.5580 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1967 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4705 0.3418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7925 1.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9470 1.9495 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 2.8375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0895 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0895 4.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0895 5.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 5.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 4.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8039 4.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8039 5.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3395 5.7250 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 5 1 0 0 0 0 3 2 1 0 0 0 0 2 4 2 0 0 0 0 4 6 1 0 0 0 0 8 5 1 0 0 0 0 8 7 2 0 0 0 0 6 9 1 0 0 0 0 9 7 1 0 0 0 0 6 5 2 0 0 0 0 9 10 1 0 0 0 0 11 10 1 0 0 0 0 10 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 2 15 1 0 0 0 0 16 15 1 6 0 0 0 20 16 1 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 18 22 1 1 0 0 0 1 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 28 25 1 0 0 0 0 25 29 2 0 0 0 0 26 27 1 0 0 0 0 26 30 2 0 0 0 0 27 28 2 0 0 0 0 29 30 1 0 0 0 0 27 31 1 0 0 0 0 M END > (828) 956 > (828) C23H30IN7 > (828) 531.43567 > (828) CDK-2 > (828) 11458 > (828) 50 > (828) 826 $$$$ triazolo[1,5-a]pyrimidine 17 csChFnd80/03251016402D 33 37 0 0 0 0 0 0 0 0999 V2000 -1.0625 2.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7770 2.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7770 1.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0625 1.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 1.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 2.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4914 1.1437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4914 0.3187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2049 -0.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2029 -0.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7740 -0.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5055 -0.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4875 -1.3313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7760 -0.0920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9920 0.1648 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9888 -1.1700 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3664 2.7938 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1633 3.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7789 2.0793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9164 -1.3347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9144 -2.1597 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6289 -2.5722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6289 -3.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9144 -3.8097 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1999 -3.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1999 -2.5722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9144 -4.6347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3664 3.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3664 5.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3481 4.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3481 4.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0809 4.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0809 4.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 17 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 10 13 2 0 0 0 0 13 11 1 0 0 0 0 15 14 1 0 0 0 0 15 12 2 0 0 0 0 11 16 2 0 0 0 0 16 12 1 0 0 0 0 11 14 1 0 0 0 0 10 20 1 0 0 0 0 17 28 1 0 0 0 0 17 19 2 0 0 0 0 17 18 2 0 0 0 0 21 20 1 1 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 24 27 1 6 0 0 0 31 28 2 0 0 0 0 28 32 1 0 0 0 0 29 30 2 0 0 0 0 29 33 1 0 0 0 0 30 31 1 0 0 0 0 32 33 2 0 0 0 0 M END > (829) 957 > (829) C23H25N7O2S > (829) 463.5553 > (829) CDK-2 > (829) 11455 > (829) 260 > (829) 827 $$$$ Oxindole-Based Inhibitor 51 csChFnd80/03251016402D 26 28 0 0 0 0 0 0 0 0999 V2000 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 6.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 6.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5165 2.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7259 2.4448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 2.2313 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.3415 1.5168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 7 1 0 0 0 0 9 10 2 0 0 0 0 6 22 2 0 0 0 0 22 11 1 0 0 0 0 11 12 1 0 0 0 0 15 12 2 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 16 17 2 0 0 0 0 13 19 1 0 0 0 0 19 21 1 0 0 0 0 19 18 2 0 0 0 0 19 20 2 0 0 0 0 2 25 1 0 0 0 0 25 23 2 0 0 0 0 25 24 1 0 0 0 0 25 26 2 0 0 0 0 M END > (830) 958 > (830) C14H12N4O6S2 > (830) 396.39828 > (830) CDK-2 > (830) 7715 > (830) 15 > (830) 828 $$$$ Oxindole-Based Inhibitor 52 csChFnd80/03251016402D 25 27 0 0 0 0 0 0 0 0999 V2000 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 6.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 6.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 3.0563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6434 1.8188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 7 1 0 0 0 0 9 10 2 0 0 0 0 6 22 2 0 0 0 0 22 11 1 0 0 0 0 11 12 1 0 0 0 0 15 12 2 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 16 17 2 0 0 0 0 13 19 1 0 0 0 0 19 21 1 0 0 0 0 19 18 2 0 0 0 0 19 20 2 0 0 0 0 2 23 1 0 0 0 0 23 25 1 0 0 0 0 23 24 2 0 0 0 0 M END > (831) 959 > (831) C16H13N3O5S > (831) 359.35652 > (831) CDK-2 > (831) 7716 > (831) 28 > (831) 829 $$$$ SQ-67563 Analog 10f csChFnd80/03251016402D 21 23 0 0 0 0 0 0 0 0999 V2000 -2.1648 1.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1648 1.9938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4503 0.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7359 1.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4503 -0.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7359 -0.4813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7359 1.9938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 2.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6444 1.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4413 1.8374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0246 1.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0214 -0.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0214 0.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7632 1.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7632 -0.3237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2481 0.3437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8793 0.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2142 0.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9592 -0.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1342 -0.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5467 1.2412 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 17 1 1 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 4 3 1 0 0 0 0 3 5 2 0 0 0 0 4 13 2 0 0 0 0 5 6 1 0 0 0 0 6 12 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 15 12 1 0 0 0 0 12 13 1 0 0 0 0 14 13 1 0 0 0 0 15 16 1 0 0 0 0 16 14 2 0 0 0 0 20 17 2 0 0 0 0 21 17 1 0 0 0 0 21 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 M END > (832) 960 > (832) C15H15N3O2S > (832) 301.3635 > (832) CDK-2 > (832) 5770 > (832) 200 > (832) 830 $$$$ H622 csChFnd80/03251016402D 27 31 0 0 0 0 0 0 0 0999 V2000 -0.6250 2.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3395 0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3395 1.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 0.3625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0895 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0895 0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3590 1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8741 1.8550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8741 0.5201 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1291 -0.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9136 -0.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6439 -0.9317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1285 -1.5993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9132 -1.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0539 0.3625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7684 0.7750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5187 1.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2208 1.5580 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1967 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4705 0.3418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7925 1.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9470 1.9495 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 2.8375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0895 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0895 4.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4451 4.8194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3774 4.7551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 5 1 0 0 0 0 3 2 1 0 0 0 0 2 4 2 0 0 0 0 4 6 1 0 0 0 0 8 5 1 0 0 0 0 8 7 2 0 0 0 0 6 9 1 0 0 0 0 9 7 1 0 0 0 0 6 5 2 0 0 0 0 9 10 1 0 0 0 0 11 10 1 0 0 0 0 10 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 2 15 1 0 0 0 0 16 15 1 6 0 0 0 20 16 1 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 18 22 1 1 0 0 0 1 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 27 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 M END > (833) 961 > (833) C20H31N7 > (833) 369.50704 > (833) CDK-2 > (833) 11459 > (833) 24 > (833) 831 $$$$ Oxindole-Based Inhibitor 53 csChFnd80/03251016402D 26 28 0 0 0 0 0 0 0 0999 V2000 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 6.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 6.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 3.0563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6434 1.8188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3579 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 7 1 0 0 0 0 9 10 2 0 0 0 0 6 22 2 0 0 0 0 22 11 1 0 0 0 0 11 12 1 0 0 0 0 15 12 2 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 16 17 2 0 0 0 0 13 19 1 0 0 0 0 19 21 1 0 0 0 0 19 18 2 0 0 0 0 19 20 2 0 0 0 0 2 23 1 0 0 0 0 23 25 1 0 0 0 0 23 24 2 0 0 0 0 25 26 1 0 0 0 0 M END > (834) 962 > (834) C17H15N3O5S > (834) 373.3831 > (834) CDK-2 > (834) 7717 > (834) 2.1 > (834) 832 $$$$ Oxindole-Based Inhibitor 54 csChFnd80/03251016402D 29 31 0 0 0 0 0 0 0 0999 V2000 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 6.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 6.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 3.0563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6434 1.8188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3579 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0724 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7868 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0723 0.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 7 1 0 0 0 0 9 10 2 0 0 0 0 6 22 2 0 0 0 0 22 11 1 0 0 0 0 11 12 1 0 0 0 0 15 12 2 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 16 17 2 0 0 0 0 13 19 1 0 0 0 0 19 21 1 0 0 0 0 19 18 2 0 0 0 0 19 20 2 0 0 0 0 2 23 1 0 0 0 0 23 25 1 0 0 0 0 23 24 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 M END > (835) 963 > (835) C20H21N3O5S > (835) 415.46284 > (835) CDK-2 > (835) 7718 > (835) 3 > (835) 833 $$$$ SQ-67563 Analog 21e csChFnd80/03251016402D 23 25 0 0 0 0 0 0 0 0999 V2000 -2.1648 1.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1648 1.9938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4503 0.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7359 1.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4503 -0.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7359 -0.4813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7359 1.9938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 2.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6444 1.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4413 1.8374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0246 1.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0214 -0.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0214 0.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7632 1.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7632 -0.3237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2481 0.3437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8793 0.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5938 1.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3082 0.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3082 -0.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5938 -0.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8793 -0.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5938 1.9938 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 17 1 1 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 4 3 1 0 0 0 0 3 5 2 0 0 0 0 4 13 2 0 0 0 0 5 6 1 0 0 0 0 6 12 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 15 12 1 0 0 0 0 12 13 1 0 0 0 0 14 13 1 0 0 0 0 15 16 1 0 0 0 0 16 14 2 0 0 0 0 22 17 1 0 0 0 0 18 17 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 18 23 1 0 0 0 0 M END > (836) 964 > (836) C17H16FN3O2 > (836) 313.3262432 > (836) CDK-2 > (836) 5773 > (836) 36 > (836) 834 $$$$ Oxindole-Based Inhibitor 47 csChFnd80/03251016402D 24 25 0 0 0 0 0 0 0 0999 V2000 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 6.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 6.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 2.2313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3125 3.0938 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 7 1 0 0 0 0 9 10 2 0 0 0 0 6 22 2 0 0 0 0 22 11 1 0 0 0 0 11 12 1 0 0 0 0 15 12 2 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 16 17 2 0 0 0 0 13 19 1 0 0 0 0 19 21 1 0 0 0 0 19 18 2 0 0 0 0 19 20 2 0 0 0 0 2 23 1 0 0 0 0 M END > (837) 965 > (837) C14H14ClN5O3S > (837) 367.81066 > (837) CDK-2 > (837) 7711 > (837) 74 > (837) 835 $$$$ Oxindole-Based Inhibitor 48 csChFnd80/03251016402D 25 27 0 0 0 0 0 0 0 0999 V2000 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 6.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 6.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 2.2313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6435 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 3.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 7 1 0 0 0 0 9 10 2 0 0 0 0 6 22 2 0 0 0 0 22 11 1 0 0 0 0 11 12 1 0 0 0 0 15 12 2 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 16 17 2 0 0 0 0 13 19 1 0 0 0 0 19 21 1 0 0 0 0 19 18 2 0 0 0 0 19 20 2 0 0 0 0 2 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 M END > (838) 966 > (838) C17H18N4O3S > (838) 358.41482 > (838) CDK-2 > (838) 7712 > (838) 310 > (838) 836 $$$$ SQ-67563 Analog 21f csChFnd80/03251016402D 24 26 0 0 0 0 0 0 0 0999 V2000 -2.1648 1.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1648 1.9938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4503 0.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7359 1.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4503 -0.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7359 -0.4813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7359 1.9938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 2.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6444 1.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4413 1.8374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0246 1.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0214 -0.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0214 0.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7632 1.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7632 -0.3237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2481 0.3437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8793 0.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5938 1.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3082 0.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3082 -0.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5938 -0.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8793 -0.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5938 1.9938 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.1648 -0.4812 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 17 1 1 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 4 3 1 0 0 0 0 3 5 2 0 0 0 0 4 13 2 0 0 0 0 5 6 1 0 0 0 0 6 12 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 15 12 1 0 0 0 0 12 13 1 0 0 0 0 14 13 1 0 0 0 0 15 16 1 0 0 0 0 16 14 2 0 0 0 0 22 17 1 0 0 0 0 18 17 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 18 23 1 0 0 0 0 22 24 1 0 0 0 0 M END > (839) 967 > (839) C17H15F2N3O2 > (839) 331.3167064 > (839) CDK-2 > (839) 5774 > (839) 64 > (839) 837 $$$$ Oxindole-Based Inhibitor 49 csChFnd80/03251016402D 26 28 0 0 0 0 0 0 0 0999 V2000 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 6.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 6.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6435 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 2.2313 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.5165 2.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5124 2.8147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 7 1 0 0 0 0 9 10 2 0 0 0 0 6 23 2 0 0 0 0 23 11 1 0 0 0 0 11 12 1 0 0 0 0 15 12 2 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 16 17 2 0 0 0 0 13 19 1 0 0 0 0 19 21 1 0 0 0 0 19 18 2 0 0 0 0 19 20 2 0 0 0 0 2 24 1 0 0 0 0 24 22 1 0 0 0 0 24 26 2 0 0 0 0 24 25 2 0 0 0 0 M END > (840) 968 > (840) C15H14N4O5S2 > (840) 394.42546 > (840) CDK-2 > (840) 7713 > (840) 16 > (840) 838 $$$$ SQ-67563 Analog 10g csChFnd80/03251016402D 21 23 0 0 0 0 0 0 0 0999 V2000 -2.1648 1.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1648 1.9938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4503 0.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7359 1.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4503 -0.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7359 -0.4813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7359 1.9938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 2.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6444 1.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4413 1.8374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0246 1.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0214 -0.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0214 0.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7632 1.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7632 -0.3237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2481 0.3437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8793 0.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2142 0.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9592 -0.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5467 1.2412 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.1342 -0.0283 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17 1 1 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 4 3 1 0 0 0 0 3 5 2 0 0 0 0 4 13 2 0 0 0 0 5 6 1 0 0 0 0 6 12 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 15 12 1 0 0 0 0 12 13 1 0 0 0 0 14 13 1 0 0 0 0 15 16 1 0 0 0 0 16 14 2 0 0 0 0 21 17 2 0 0 0 0 20 17 1 0 0 0 0 20 18 1 0 0 0 0 18 19 2 0 0 0 0 19 21 1 0 0 0 0 M END > (841) 969 > (841) C14H14N4O2S > (841) 302.35156 > (841) CDK-2 > (841) 5771 > (841) 210 > (841) 839 $$$$ Oxindole-Based Inhibitor 50 csChFnd80/03251016402D 26 28 0 0 0 0 0 0 0 0999 V2000 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 6.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 6.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 2.2313 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.5165 2.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5124 2.8147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6435 1.8188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 7 1 0 0 0 0 9 10 2 0 0 0 0 6 22 2 0 0 0 0 22 11 1 0 0 0 0 11 12 1 0 0 0 0 15 12 2 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 16 17 2 0 0 0 0 13 19 1 0 0 0 0 19 21 1 0 0 0 0 19 18 2 0 0 0 0 19 20 2 0 0 0 0 2 23 1 0 0 0 0 23 26 1 0 0 0 0 23 25 2 0 0 0 0 23 24 2 0 0 0 0 M END > (842) 970 > (842) C14H13N5O5S2 > (842) 395.41352 > (842) CDK-2 > (842) 7714 > (842) 43 > (842) 840 $$$$ SQ-67563 Analog 21b csChFnd80/03251016402D 23 25 0 0 0 0 0 0 0 0999 V2000 -2.1648 1.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1648 1.9938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4503 0.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7359 1.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4503 -0.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7359 -0.4813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7359 1.9938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 2.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6444 1.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4413 1.8374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0246 1.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0214 -0.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0214 0.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7632 1.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7632 -0.3237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2481 0.3437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8793 0.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5938 1.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3082 0.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3082 -0.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5938 -0.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8793 -0.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5938 1.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17 1 1 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 4 3 1 0 0 0 0 3 5 2 0 0 0 0 4 13 2 0 0 0 0 5 6 1 0 0 0 0 6 12 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 15 12 1 0 0 0 0 12 13 1 0 0 0 0 14 13 1 0 0 0 0 15 16 1 0 0 0 0 16 14 2 0 0 0 0 22 17 1 0 0 0 0 18 17 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 18 23 1 0 0 0 0 M END > (843) 971 > (843) C18H19N3O2 > (843) 309.36236 > (843) CDK-2 > (843) 5772 > (843) 730 > (843) 841 $$$$ Oxindole-Based Inhibitor 109 csChFnd80/03251016402D 28 32 0 0 0 0 0 0 0 0999 V2000 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2674 6.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1479 5.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0721 5.9044 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8690 6.1179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8586 6.7013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6150 3.3764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7331 2.0468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8560 3.0530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1570 2.7545 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15 2 2 0 0 0 0 14 13 2 0 0 0 0 13 1 1 0 0 0 0 1 4 2 0 0 0 0 3 2 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 4 1 0 0 0 0 6 7 2 0 0 0 0 3 16 2 0 0 0 0 16 8 1 0 0 0 0 8 9 1 0 0 0 0 11 9 2 0 0 0 0 9 12 1 0 0 0 0 19 10 2 0 0 0 0 10 11 1 0 0 0 0 12 17 2 0 0 0 0 15 14 1 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 20 21 1 0 0 0 0 19 17 1 0 0 0 0 21 23 2 0 0 0 0 22 21 2 0 0 0 0 14 24 1 0 0 0 0 26 24 2 0 0 0 0 24 27 1 0 0 0 0 25 28 2 0 0 0 0 25 27 1 0 0 0 0 28 26 1 0 0 0 0 M END > (844) 972 > (844) C20H15N3O4S > (844) 393.4158 > (844) CDK-2 > (844) 7773 > (844) 8.9 > (844) 842 $$$$ Oxindole-Based Inhibitor 107 csChFnd80/03251016402D 26 29 0 0 0 0 0 0 0 0999 V2000 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 3.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6716 3.0382 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8276 2.3708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7063 5.5227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3196 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6343 5.9071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1848 7.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18 2 2 0 0 0 0 16 15 2 0 0 0 0 15 1 1 0 0 0 0 1 4 2 0 0 0 0 3 2 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 4 1 0 0 0 0 6 7 2 0 0 0 0 3 25 2 0 0 0 0 25 8 1 0 0 0 0 8 9 1 0 0 0 0 12 9 2 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 20 16 1 0 0 0 0 19 17 1 0 0 0 0 19 18 1 0 0 0 0 17 20 2 0 0 0 0 18 16 1 0 0 0 0 10 21 1 0 0 0 0 21 23 1 0 0 0 0 23 26 1 0 0 0 0 23 22 2 0 0 0 0 23 24 2 0 0 0 0 M END > (845) 973 > (845) C18H15N3O3S2 > (845) 385.46 > (845) CDK-2 > (845) 7771 > (845) 50 > (845) 843 $$$$ Oxindole-Based Inhibitor 108 csChFnd80/03251016402D 26 30 0 0 0 0 0 0 0 0999 V2000 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 3.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6716 3.0382 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8276 2.3708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2674 6.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1479 5.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0721 5.9044 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8690 6.1179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8586 6.7013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16 2 2 0 0 0 0 14 13 2 0 0 0 0 13 1 1 0 0 0 0 1 4 2 0 0 0 0 3 2 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 4 1 0 0 0 0 6 7 2 0 0 0 0 3 19 2 0 0 0 0 19 8 1 0 0 0 0 8 9 1 0 0 0 0 11 9 2 0 0 0 0 9 12 1 0 0 0 0 22 10 2 0 0 0 0 10 11 1 0 0 0 0 12 20 2 0 0 0 0 18 14 1 0 0 0 0 17 15 1 0 0 0 0 17 16 1 0 0 0 0 15 18 2 0 0 0 0 16 14 1 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 23 24 1 0 0 0 0 22 20 1 0 0 0 0 24 26 2 0 0 0 0 25 24 2 0 0 0 0 M END > (846) 974 > (846) C18H13N3O3S2 > (846) 383.44412 > (846) CDK-2 > (846) 7772 > (846) 14 > (846) 844 $$$$ Oxindole-Based Inhibitor 106 csChFnd80/03251016402D 29 32 0 0 0 0 0 0 0 0999 V2000 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 3.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6716 3.0382 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8276 2.3708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7063 5.5227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3196 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6343 5.9071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1848 7.1009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9939 7.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2589 8.0433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0681 8.2044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18 2 2 0 0 0 0 16 15 2 0 0 0 0 15 1 1 0 0 0 0 1 4 2 0 0 0 0 3 2 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 4 1 0 0 0 0 6 7 2 0 0 0 0 3 26 2 0 0 0 0 26 8 1 0 0 0 0 8 9 1 0 0 0 0 12 9 2 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 20 16 1 0 0 0 0 19 17 1 0 0 0 0 19 18 1 0 0 0 0 17 20 2 0 0 0 0 18 16 1 0 0 0 0 10 21 1 0 0 0 0 21 23 1 0 0 0 0 23 25 1 0 0 0 0 23 22 2 0 0 0 0 23 24 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 M END > (847) 975 > (847) C19H18N4O4S2 > (847) 430.50062 > (847) CDK-2 > (847) 7770 > (847) 13 > (847) 845 $$$$ Oxindole-Based Inhibitor 105 csChFnd80/03251016402D 27 30 0 0 0 0 0 0 0 0999 V2000 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 3.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6716 3.0382 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8276 2.3708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7063 5.5227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3196 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6343 5.9071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1848 7.1009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9939 7.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18 2 2 0 0 0 0 16 15 2 0 0 0 0 15 1 1 0 0 0 0 1 4 2 0 0 0 0 3 2 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 4 1 0 0 0 0 6 7 2 0 0 0 0 3 27 2 0 0 0 0 27 8 1 0 0 0 0 8 9 1 0 0 0 0 12 9 2 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 20 16 1 0 0 0 0 19 17 1 0 0 0 0 19 18 1 0 0 0 0 17 20 2 0 0 0 0 18 16 1 0 0 0 0 10 21 1 0 0 0 0 21 23 1 0 0 0 0 23 25 1 0 0 0 0 23 22 2 0 0 0 0 23 24 2 0 0 0 0 25 26 1 0 0 0 0 M END > (848) 976 > (848) C17H15N5O3S2 > (848) 401.4627 > (848) CDK-2 > (848) 7769 > (848) 5.7 > (848) 846 $$$$ Oxindole-Based Inhibitor 104 csChFnd80/03251016402D 27 30 0 0 0 0 0 0 0 0999 V2000 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 3.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6716 3.0382 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8276 2.3708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7063 5.5227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3196 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6343 5.9071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1848 7.1009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9939 7.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19 2 2 0 0 0 0 17 15 2 0 0 0 0 15 1 1 0 0 0 0 1 4 2 0 0 0 0 3 2 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 4 1 0 0 0 0 6 7 2 0 0 0 0 3 16 2 0 0 0 0 16 8 1 0 0 0 0 8 9 1 0 0 0 0 12 9 2 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 21 17 1 0 0 0 0 20 18 1 0 0 0 0 20 19 1 0 0 0 0 18 21 2 0 0 0 0 19 17 1 0 0 0 0 10 22 1 0 0 0 0 22 24 1 0 0 0 0 24 26 1 0 0 0 0 24 23 2 0 0 0 0 24 25 2 0 0 0 0 26 27 1 0 0 0 0 M END > (849) 977 > (849) C18H16N4O3S2 > (849) 400.47464 > (849) CDK-2 > (849) 7768 > (849) 26 > (849) 847 $$$$ Oxindole-Based Inhibitor 103 csChFnd80/03251016402D 26 29 0 0 0 0 0 0 0 0999 V2000 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 3.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6716 3.0382 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8276 2.3708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7063 5.5227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3196 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6343 5.9071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1848 7.1009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19 2 2 0 0 0 0 17 15 2 0 0 0 0 15 1 1 0 0 0 0 1 4 2 0 0 0 0 3 2 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 4 1 0 0 0 0 6 7 2 0 0 0 0 3 16 2 0 0 0 0 16 8 1 0 0 0 0 8 9 1 0 0 0 0 12 9 2 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 21 17 1 0 0 0 0 20 18 1 0 0 0 0 20 19 1 0 0 0 0 18 21 2 0 0 0 0 19 17 1 0 0 0 0 10 22 1 0 0 0 0 22 24 1 0 0 0 0 24 26 1 0 0 0 0 24 23 2 0 0 0 0 24 25 2 0 0 0 0 M END > (850) 978 > (850) C17H14N4O3S2 > (850) 386.44806 > (850) CDK-2 > (850) 7767 > (850) 7.5 > (850) 848 $$$$ Oxindole-Based Inhibitor 102 csChFnd80/03251016402D 25 28 0 0 0 0 0 0 0 0999 V2000 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 6.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 6.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 3.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6716 3.0382 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8276 2.3708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9076 6.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21 2 2 0 0 0 0 19 17 2 0 0 0 0 17 1 1 0 0 0 0 1 4 2 0 0 0 0 3 2 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 4 1 0 0 0 0 6 7 2 0 0 0 0 3 18 2 0 0 0 0 18 8 1 0 0 0 0 8 9 1 0 0 0 0 12 9 2 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 10 24 1 0 0 0 0 24 15 2 0 0 0 0 24 16 2 0 0 0 0 23 19 1 0 0 0 0 22 20 1 0 0 0 0 22 21 1 0 0 0 0 20 23 2 0 0 0 0 21 19 1 0 0 0 0 24 25 1 0 0 0 0 M END > (851) 979 > (851) C17H13N3O3S2 > (851) 371.43342 > (851) CDK-2 > (851) 7766 > (851) 5.7 > (851) 849 $$$$ Oxindole-Based Inhibitor 98 csChFnd80/03251016402D 23 25 0 0 0 0 0 0 0 0999 V2000 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 6.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 6.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1847 7.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22 2 2 0 0 0 0 21 18 2 0 0 0 0 18 1 1 0 0 0 0 1 4 2 0 0 0 0 3 2 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 4 1 0 0 0 0 6 7 2 0 0 0 0 3 19 2 0 0 0 0 19 8 1 0 0 0 0 8 9 1 0 0 0 0 12 9 2 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 10 16 1 0 0 0 0 16 20 1 0 0 0 0 16 15 2 0 0 0 0 16 17 2 0 0 0 0 20 23 1 0 0 0 0 22 21 1 0 0 0 0 M END > (852) 980 > (852) C16H15N3O3S > (852) 329.3736 > (852) CDK-2 > (852) 7762 > (852) 560 > (852) 850 $$$$ 2-aminothiazole 6 csChFnd80/03251016402D 23 25 0 0 0 0 0 0 0 0999 V2000 -1.5112 1.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2563 0.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1763 1.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8438 1.7330 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4312 0.4635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2958 1.5030 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9089 0.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6935 1.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7734 1.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0284 1.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3609 0.7210 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9484 1.9905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0788 2.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2584 2.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6750 3.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6135 3.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6083 1.5030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2214 0.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9216 1.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2491 0.1264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9771 -0.2618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6772 0.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6495 0.9990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 0 4 3 1 0 0 0 0 1 2 2 0 0 0 0 2 5 1 0 0 0 0 5 3 2 0 0 0 0 3 17 1 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 11 8 2 0 0 0 0 8 12 1 0 0 0 0 11 10 1 0 0 0 0 12 9 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 14 13 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 17 18 1 0 0 0 0 19 18 2 0 0 0 0 18 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 M END > (853) 981 > (853) C17H19N3OS2 > (853) 345.48226 > (853) CDK-2 > (853) 5722 > (853) 4 > (853) 851 $$$$ 2-aminothiazole 7 csChFnd80/03251016402D 23 25 0 0 0 0 0 0 0 0999 V2000 -1.5112 1.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2563 0.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1763 1.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8438 1.7330 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4312 0.4635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2958 1.5030 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9089 0.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6935 1.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7734 1.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0284 1.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3609 0.7210 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9484 1.9905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0788 2.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2584 2.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6750 3.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6135 3.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6083 1.5030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2214 0.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2214 0.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9359 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6503 0.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6503 0.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9359 1.3634 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 0 4 3 1 0 0 0 0 1 2 2 0 0 0 0 2 5 1 0 0 0 0 5 3 2 0 0 0 0 3 17 1 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 11 8 2 0 0 0 0 8 12 1 0 0 0 0 11 10 1 0 0 0 0 12 9 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 14 13 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 17 18 1 0 0 0 0 23 18 1 0 0 0 0 18 19 2 0 0 0 0 23 22 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 M END > (854) 982 > (854) C16H18N4OS2 > (854) 346.47032 > (854) CDK-2 > (854) 5723 > (854) 2 > (854) 852 $$$$ Oxindole-Based Inhibitor 99 csChFnd80/03251016402D 27 29 0 0 0 0 0 0 0 0999 V2000 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 6.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 6.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1847 7.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9938 7.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2587 8.0436 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0678 8.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7145 8.6636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22 2 2 0 0 0 0 21 18 2 0 0 0 0 18 1 1 0 0 0 0 1 4 2 0 0 0 0 3 2 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 4 1 0 0 0 0 6 7 2 0 0 0 0 3 19 2 0 0 0 0 19 8 1 0 0 0 0 8 9 1 0 0 0 0 12 9 2 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 10 16 1 0 0 0 0 16 20 1 0 0 0 0 16 15 2 0 0 0 0 16 17 2 0 0 0 0 20 23 1 0 0 0 0 22 21 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 M END > (855) 983 > (855) C19H22N4O3S > (855) 386.46798 > (855) CDK-2 > (855) 7763 > (855) 1000 > (855) 853 $$$$ Oxindole-Based Inhibitor 100 csChFnd80/03251016402D 27 30 0 0 0 0 0 0 0 0999 V2000 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 6.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 6.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1847 7.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1600 8.4356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9492 8.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9645 7.3704 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6875 7.7593 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22 2 2 0 0 0 0 21 18 2 0 0 0 0 18 1 1 0 0 0 0 1 4 2 0 0 0 0 3 2 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 4 1 0 0 0 0 6 7 2 0 0 0 0 3 19 2 0 0 0 0 19 8 1 0 0 0 0 8 9 1 0 0 0 0 12 9 2 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 10 16 1 0 0 0 0 16 20 1 0 0 0 0 16 15 2 0 0 0 0 16 17 2 0 0 0 0 20 23 1 0 0 0 0 22 21 1 0 0 0 0 27 23 2 0 0 0 0 23 26 1 0 0 0 0 24 27 1 0 0 0 0 24 25 2 0 0 0 0 26 25 1 0 0 0 0 M END > (856) 984 > (856) C18H14N4O3S2 > (856) 398.45876 > (856) CDK-2 > (856) 7764 > (856) 1000 > (856) 854 $$$$ Oxindole-Based Inhibitor 101 csChFnd80/03251016402D 25 27 0 0 0 0 0 0 0 0999 V2000 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 6.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 6.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1847 7.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6875 7.7593 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9992 7.2324 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22 2 2 0 0 0 0 21 18 2 0 0 0 0 18 1 1 0 0 0 0 1 4 2 0 0 0 0 3 2 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 4 1 0 0 0 0 6 7 2 0 0 0 0 3 19 2 0 0 0 0 19 8 1 0 0 0 0 8 9 1 0 0 0 0 12 9 2 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 10 16 1 0 0 0 0 16 20 1 0 0 0 0 16 15 2 0 0 0 0 16 17 2 0 0 0 0 20 23 1 0 0 0 0 22 21 1 0 0 0 0 24 23 2 0 0 0 0 23 25 1 0 0 0 0 M END > (857) 985 > (857) C16H15N5O3S > (857) 357.387 > (857) CDK-2 > (857) 7765 > (857) 660 > (857) 855 $$$$ 2-aminothiazole 3 csChFnd80/03251016402D 26 28 0 0 0 0 0 0 0 0999 V2000 -1.5112 1.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2563 0.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1763 1.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8438 1.7330 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4312 0.4635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6083 1.5030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2214 0.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0499 0.1440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2958 1.5030 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9089 0.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6935 1.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7734 1.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0284 1.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3609 0.7210 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9484 1.9905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0788 2.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2584 2.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6750 3.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6135 3.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0060 1.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6191 0.6538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 1.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6191 -0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -0.5837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0480 -0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0480 0.6538 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 0 4 3 1 0 0 0 0 1 2 2 0 0 0 0 2 5 1 0 0 0 0 5 3 2 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 7 20 1 0 0 0 0 7 8 2 0 0 0 0 1 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 14 11 2 0 0 0 0 11 15 1 0 0 0 0 14 13 1 0 0 0 0 15 12 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 17 16 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 22 21 2 0 0 0 0 21 23 1 0 0 0 0 22 26 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 M END > (858) 986 > (858) C18H20N4O2S2 > (858) 388.507 > (858) CDK-2 > (858) 5721 > (858) 5 > (858) 856 $$$$ 2-aminothiazole 19 csChFnd80/03251016402D 31 33 0 0 0 0 0 0 0 0999 V2000 -1.5112 1.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2563 0.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1763 1.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8438 1.7330 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4312 0.4635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2958 1.5030 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9089 0.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6935 1.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7734 1.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0284 1.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3609 0.7210 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9484 1.9905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0788 2.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2584 2.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6750 3.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6135 3.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6083 1.5030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2214 0.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2482 0.1264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9757 -0.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6764 0.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6496 0.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9221 1.3865 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4039 -0.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1045 0.2192 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8320 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2610 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9755 0.2427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9632 0.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5465 0.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1299 0.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 0 4 3 1 0 0 0 0 1 2 2 0 0 0 0 2 5 1 0 0 0 0 5 3 2 0 0 0 0 3 17 1 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 11 8 2 0 0 0 0 8 12 1 0 0 0 0 11 10 1 0 0 0 0 12 9 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 14 13 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 17 18 1 0 0 0 0 23 18 1 0 0 0 0 18 19 2 0 0 0 0 23 22 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 30 1 0 0 0 0 30 27 1 0 0 0 0 27 28 1 0 0 0 0 30 29 1 0 0 0 0 30 31 1 0 0 0 0 M END > (859) 987 > (859) C22H31N5O2S2 > (859) 461.64384 > (859) CDK-2 > (859) 5726 > (859) 3 > (859) 857 $$$$ 2-aminothiazole 23 csChFnd80/03251016402D 30 32 0 0 0 0 0 0 0 0999 V2000 -1.5112 1.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2563 0.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1763 1.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8438 1.7330 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4312 0.4635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2958 1.5030 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9089 0.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6935 1.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7734 1.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0284 1.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3609 0.7210 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9484 1.9905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0788 2.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2584 2.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6750 3.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6135 3.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6083 1.5030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2214 0.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2482 0.1264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9757 -0.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6764 0.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6496 0.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1045 0.2192 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9221 1.3865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8320 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5327 0.2657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2602 -0.1233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4039 -0.2163 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9873 -0.7997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6894 -0.6288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 0 4 3 1 0 0 0 0 1 2 2 0 0 0 0 2 5 1 0 0 0 0 5 3 2 0 0 0 0 3 17 1 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 11 8 2 0 0 0 0 8 12 1 0 0 0 0 11 10 1 0 0 0 0 12 9 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 14 13 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 17 18 1 0 0 0 0 24 18 1 0 0 0 0 18 19 2 0 0 0 0 24 22 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 28 1 0 0 0 0 28 23 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 28 30 2 0 0 0 0 28 29 2 0 0 0 0 M END > (860) 988 > (860) C19H24N4O4S3 > (860) 468.61326 > (860) CDK-2 > (860) 5727 > (860) 2 > (860) 858 $$$$ 2-aminothiazole 8 csChFnd80/03251016402D 23 25 0 0 0 0 0 0 0 0999 V2000 -1.5112 1.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2563 0.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1763 1.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8438 1.7330 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4312 0.4635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2958 1.5030 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9089 0.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6935 1.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7734 1.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0284 1.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3609 0.7210 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9484 1.9905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0788 2.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2584 2.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6750 3.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6135 3.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6083 1.5030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2214 0.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9359 1.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2214 0.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9359 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6503 0.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6503 0.9509 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 0 4 3 1 0 0 0 0 1 2 2 0 0 0 0 2 5 1 0 0 0 0 5 3 2 0 0 0 0 3 17 1 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 11 8 2 0 0 0 0 8 12 1 0 0 0 0 11 10 1 0 0 0 0 12 9 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 14 13 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 17 18 1 0 0 0 0 19 18 2 0 0 0 0 18 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 M END > (861) 989 > (861) C16H18N4OS2 > (861) 346.47032 > (861) CDK-2 > (861) 5724 > (861) 3 > (861) 859 $$$$ Oxindole-Based Inhibitor 96 csChFnd80/03251016402D 28 31 0 0 0 0 0 0 0 0999 V2000 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 6.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 6.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 3.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6716 3.0382 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8276 2.3708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1847 7.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9938 7.2622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6405 7.7211 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23 2 2 0 0 0 0 21 18 2 0 0 0 0 18 1 1 0 0 0 0 1 4 2 0 0 0 0 3 2 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 4 1 0 0 0 0 6 7 2 0 0 0 0 3 19 2 0 0 0 0 19 8 1 0 0 0 0 8 9 1 0 0 0 0 12 9 2 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 10 16 1 0 0 0 0 16 20 1 0 0 0 0 16 15 2 0 0 0 0 16 17 2 0 0 0 0 20 26 1 0 0 0 0 25 21 1 0 0 0 0 24 22 1 0 0 0 0 24 23 1 0 0 0 0 22 25 2 0 0 0 0 23 21 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 M END > (862) 990 > (862) C17H14N6O3S2 > (862) 414.46146 > (862) CDK-2 > (862) 7760 > (862) 3.3 > (862) 860 $$$$ 2-aminothiazole 9 csChFnd80/03251016402D 23 25 0 0 0 0 0 0 0 0999 V2000 -1.5112 1.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2563 0.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1763 1.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8438 1.7330 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4312 0.4635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2958 1.5030 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9089 0.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6935 1.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7734 1.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0284 1.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3609 0.7210 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9484 1.9905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0788 2.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2584 2.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6750 3.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6135 3.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6083 1.5030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2214 0.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2214 0.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9359 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6503 0.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6503 0.1259 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9359 1.3634 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 0 4 3 1 0 0 0 0 1 2 2 0 0 0 0 2 5 1 0 0 0 0 5 3 2 0 0 0 0 3 17 1 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 11 8 2 0 0 0 0 8 12 1 0 0 0 0 11 10 1 0 0 0 0 12 9 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 14 13 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 17 18 1 0 0 0 0 23 18 2 0 0 0 0 18 19 1 0 0 0 0 23 21 1 0 0 0 0 19 20 2 0 0 0 0 20 22 1 0 0 0 0 22 21 2 0 0 0 0 M END > (863) 991 > (863) C15H17N5OS2 > (863) 347.45838 > (863) CDK-2 > (863) 5725 > (863) 1 > (863) 861 $$$$ Oxindole-Based Inhibitor 97 csChFnd80/03251016402D 28 31 0 0 0 0 0 0 0 0999 V2000 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 6.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 6.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 3.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6716 3.0382 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8276 2.3708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1847 7.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6405 7.7211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9938 7.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23 2 2 0 0 0 0 21 18 2 0 0 0 0 18 1 1 0 0 0 0 1 4 2 0 0 0 0 3 2 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 4 1 0 0 0 0 6 7 2 0 0 0 0 3 19 2 0 0 0 0 19 8 1 0 0 0 0 8 9 1 0 0 0 0 12 9 2 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 10 16 1 0 0 0 0 16 20 1 0 0 0 0 16 15 2 0 0 0 0 16 17 2 0 0 0 0 20 26 1 0 0 0 0 25 21 1 0 0 0 0 24 22 1 0 0 0 0 24 23 1 0 0 0 0 22 25 2 0 0 0 0 23 21 1 0 0 0 0 26 28 1 0 0 0 0 26 27 2 0 0 0 0 M END > (864) 992 > (864) C18H14N4O4S2 > (864) 414.45816 > (864) CDK-2 > (864) 7761 > (864) 75 > (864) 862 $$$$ Oxindole-Based Inhibitor 95 csChFnd80/03251016402D 35 40 0 0 0 0 0 0 0 0999 V2000 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 6.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 6.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 3.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6716 3.0382 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8276 2.3708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1813 8.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7705 7.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0097 7.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4205 7.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4170 9.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0063 8.5319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2455 7.8204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6563 8.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2420 9.2493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1847 7.1010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23 2 2 0 0 0 0 21 18 2 0 0 0 0 18 1 1 0 0 0 0 1 4 2 0 0 0 0 3 2 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 4 1 0 0 0 0 6 7 2 0 0 0 0 3 19 2 0 0 0 0 19 8 1 0 0 0 0 8 9 1 0 0 0 0 12 9 2 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 10 16 1 0 0 0 0 16 20 1 0 0 0 0 16 15 2 0 0 0 0 16 17 2 0 0 0 0 20 35 1 0 0 0 0 25 21 1 0 0 0 0 24 22 1 0 0 0 0 24 23 1 0 0 0 0 22 25 2 0 0 0 0 23 21 1 0 0 0 0 27 35 1 0 0 0 0 35 28 1 0 0 0 0 26 27 2 0 0 0 0 26 31 1 0 0 0 0 28 29 1 0 0 0 0 29 32 1 0 0 0 0 30 31 1 0 0 0 0 30 34 2 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 29 31 2 0 0 0 0 M END > (866) 994 > (866) C25H19N5O3S2 > (866) 501.58006 > (866) CDK-2 > (866) 7759 > (866) 9.5 > (866) 864 $$$$ Oxindole-Based Inhibitor 92 csChFnd80/03251016402D 32 36 0 0 0 0 0 0 0 0999 V2000 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 6.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 6.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 3.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6716 3.0382 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8276 2.3708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1847 7.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9596 8.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6648 7.7416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2942 8.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7743 8.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9994 7.2310 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4640 5.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23 2 2 0 0 0 0 21 18 2 0 0 0 0 18 1 1 0 0 0 0 1 4 2 0 0 0 0 3 2 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 4 1 0 0 0 0 6 7 2 0 0 0 0 3 19 2 0 0 0 0 19 8 1 0 0 0 0 8 9 1 0 0 0 0 12 9 2 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 10 16 1 0 0 0 0 16 20 1 0 0 0 0 16 15 2 0 0 0 0 16 17 2 0 0 0 0 20 26 1 0 0 0 0 25 21 1 0 0 0 0 24 22 1 0 0 0 0 24 23 1 0 0 0 0 22 25 2 0 0 0 0 23 21 1 0 0 0 0 28 26 2 0 0 0 0 26 31 1 0 0 0 0 27 28 1 0 0 0 0 27 30 2 0 0 0 0 31 29 2 0 0 0 0 29 30 1 0 0 0 0 20 32 1 0 0 0 0 M END > (867) 995 > (867) C22H17N5O3S2 > (867) 463.53208 > (867) CDK-2 > (867) 7756 > (867) 5.6 > (867) 865 $$$$ Oxindole-Based Inhibitor 91 csChFnd80/03251016402D 31 35 0 0 0 0 0 0 0 0999 V2000 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 6.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 6.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 3.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6716 3.0382 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8276 2.3708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1847 7.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9596 8.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6648 7.7416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2942 8.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7743 8.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9994 7.2310 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23 2 2 0 0 0 0 21 18 2 0 0 0 0 18 1 1 0 0 0 0 1 4 2 0 0 0 0 3 2 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 4 1 0 0 0 0 6 7 2 0 0 0 0 3 19 2 0 0 0 0 19 8 1 0 0 0 0 8 9 1 0 0 0 0 12 9 2 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 10 16 1 0 0 0 0 16 20 1 0 0 0 0 16 15 2 0 0 0 0 16 17 2 0 0 0 0 20 26 1 0 0 0 0 25 21 1 0 0 0 0 24 22 1 0 0 0 0 24 23 1 0 0 0 0 22 25 2 0 0 0 0 23 21 1 0 0 0 0 28 26 2 0 0 0 0 26 31 1 0 0 0 0 27 28 1 0 0 0 0 27 30 2 0 0 0 0 31 29 2 0 0 0 0 29 30 1 0 0 0 0 M END > (868) 996 > (868) C21H15N5O3S2 > (868) 449.5055 > (868) CDK-2 > (868) 7755 > (868) 9.7 > (868) 866 $$$$ Oxindole-Based Inhibitor 94 csChFnd80/03251016402D 32 36 0 0 0 0 0 0 0 0999 V2000 -1.5000 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.0299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 3.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 5.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 6.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 6.1584 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 6.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.3197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 3.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6716 3.0382 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8276 2.3708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1847 7.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9938 7.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2394 7.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4144 7.9720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3981 6.5431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2230 6.5337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6437 7.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23 2 2 0 0 0 0 21 18 2 0 0 0 0 18 1 1 0 0 0 0 1 4 2 0 0 0 0 3 2 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 4 1 0 0 0 0 6 7 2 0 0 0 0 3 19 2 0 0 0 0 19 8 1 0 0 0 0 8 9 1 0 0 0 0 12 9 2 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 10 16 1 0 0 0 0 16 20 1 0 0 0 0 16 15 2 0 0 0 0 16 17 2 0 0 0 0 20 26 1 0 0 0 0 25 21 1 0 0 0 0 24 22 1 0 0 0 0 24 23 1 0 0 0 0 22 25 2 0 0 0 0 23 21 1 0 0 0 0 26 27 1 0 0 0 0 29 27 2 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 32 2 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 M END > (869) 997 > (869) C23H18N4O3S2 > (869) 462.54402 > (869) CDK-2 > (869) 7758 > (869) 5.6 > (869) 867 $$$$ O6-Cyclohexylmethylguanine deriv. 20 csChFnd80/03251016402D 26 29 0 0 0 0 0 0 0 0999 V2000 -1.2188 2.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2188 0.8312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 2.0688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5043 2.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5043 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7652 1.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2803 2.3237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2803 0.9889 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2188 3.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6477 0.8312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 3.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 4.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 6.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6476 5.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6476 4.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2187 4.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2187 5.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3622 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0767 2.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7911 2.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7911 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0767 0.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3622 2.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5056 0.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5056 0.0062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 4 2 2 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 8 5 1 0 0 0 0 6 5 1 0 0 0 0 6 9 1 0 0 0 0 8 7 2 0 0 0 0 9 7 1 0 0 0 0 1 10 1 0 0 0 0 10 12 1 0 0 0 0 2 11 1 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 16 13 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 23 19 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 M END > (871) 999 > (871) C19H23N5O2 > (871) 353.41822 > (871) CDK-2 > (871) 5536 > (871) 400 > (871) 869 $$$$ O6-Cyclohexylmethylguanine deriv. 26 csChFnd80/03251016402D 26 29 0 0 0 0 0 0 0 0999 V2000 -1.2188 2.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2188 0.8312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 2.0688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5043 2.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5043 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7652 1.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2803 2.3237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2803 0.9889 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2188 3.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6477 0.8312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 3.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 4.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 6.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6476 5.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6476 4.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2187 4.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2187 5.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3622 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0767 2.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7911 2.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7911 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0767 0.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3622 2.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5056 2.4812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2201 2.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 4 2 2 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 8 5 1 0 0 0 0 6 5 1 0 0 0 0 6 9 1 0 0 0 0 8 7 2 0 0 0 0 9 7 1 0 0 0 0 1 10 1 0 0 0 0 10 12 1 0 0 0 0 2 11 1 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 16 13 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 23 19 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 21 25 1 0 0 0 0 25 26 1 0 0 0 0 M END > (872) 1000 > (872) C19H23N5O2 > (872) 353.41822 > (872) CDK-2 > (872) 5542 > (872) 650 > (872) 870 $$$$ O6-Cyclohexylmethylguanine deriv. 25 csChFnd80/03251016402D 25 28 0 0 0 0 0 0 0 0999 V2000 -1.2188 2.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2188 0.8312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 2.0688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5043 2.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5043 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7652 1.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2803 2.3237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2803 0.9889 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2188 3.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6477 0.8312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 3.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 4.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 6.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6476 5.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6476 4.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2187 4.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2187 5.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3622 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0767 2.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7911 2.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7911 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0767 0.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3622 2.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5056 2.4812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 4 2 2 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 8 5 1 0 0 0 0 6 5 1 0 0 0 0 6 9 1 0 0 0 0 8 7 2 0 0 0 0 9 7 1 0 0 0 0 1 10 1 0 0 0 0 10 12 1 0 0 0 0 2 11 1 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 16 13 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 23 19 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 21 25 1 0 0 0 0 M END > (873) 1001 > (873) C18H21N5O2 > (873) 339.39164 > (873) CDK-2 > (873) 5541 > (873) 69 > (873) 871 $$$$ O6-Cyclohexylmethylguanine deriv. 31 csChFnd80/03251016402D 27 30 0 0 0 0 0 0 0 0999 V2000 -1.2188 2.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2188 0.8312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 2.0688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5043 2.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5043 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7652 1.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2803 2.3237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2803 0.9889 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2188 3.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6477 0.8312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 3.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 4.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 6.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6476 5.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6476 4.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2187 4.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2187 5.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3622 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0767 2.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7911 2.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7911 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0767 0.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3622 2.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2201 2.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5056 2.4812 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -5.5056 3.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 4 2 2 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 8 5 1 0 0 0 0 6 5 1 0 0 0 0 6 9 1 0 0 0 0 8 7 2 0 0 0 0 9 7 1 0 0 0 0 1 10 1 0 0 0 0 10 12 1 0 0 0 0 2 11 1 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 16 13 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 23 19 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 21 26 1 0 0 0 0 26 25 1 0 0 0 0 26 27 2 0 0 0 0 M END > (875) 1003 > (875) C19H23N5O2S > (875) 385.48322 > (875) CDK-2 > (875) 5548 > (875) 100 > (875) 873 $$$$ aminoimidazo[1,2-a]pyridine deriv. 25 csChFnd80/03251016402D 30 33 0 0 0 0 0 0 0 0999 V2000 -3.4375 1.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1520 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1520 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7230 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7230 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4375 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0086 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2941 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5796 1.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2941 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5796 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1036 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8882 0.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3731 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8882 1.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1036 0.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1981 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1431 -0.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5598 -1.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9723 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2652 -1.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6778 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2652 -2.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5598 -2.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6777 -0.3210 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7973 -1.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9453 -0.6447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4375 -0.6813 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0086 1.7938 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0086 -0.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 6 4 1 0 0 0 0 4 5 2 0 0 0 0 5 29 1 0 0 0 0 6 28 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 7 30 2 0 0 0 0 10 8 1 0 0 0 0 8 11 2 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 11 16 1 0 0 0 0 13 16 1 0 0 0 0 16 12 1 0 0 0 0 15 12 2 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 13 18 1 0 0 0 0 18 19 1 0 0 0 0 18 27 2 0 0 0 0 20 19 1 0 0 0 0 19 21 2 0 0 0 0 20 24 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 21 25 1 0 0 0 0 20 26 1 0 0 0 0 M END > (876) 1004 > (876) C22H13F4N3O > (876) 411.3517328 > (876) CDK-2 > (876) 6688 > (876) 63 > (876) 874 $$$$ O6-Cyclohexylmethylguanine deriv. 32 csChFnd80/03251016402D 30 33 0 0 0 0 0 0 0 0999 V2000 -1.2188 2.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2188 0.8312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 2.0688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5043 2.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5043 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7652 1.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2803 2.3237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2803 0.9889 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2188 3.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6477 0.8312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 3.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 4.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 6.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6476 5.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6476 4.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2187 4.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2187 5.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3622 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0767 2.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7911 2.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7911 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0767 0.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3622 2.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5056 0.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5056 0.8312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2201 2.0687 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5056 2.4812 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.7911 2.8937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0890 3.0646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 4 2 2 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 8 5 1 0 0 0 0 6 5 1 0 0 0 0 6 9 1 0 0 0 0 8 7 2 0 0 0 0 9 7 1 0 0 0 0 1 10 1 0 0 0 0 10 12 1 0 0 0 0 2 11 1 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 16 13 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 23 19 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 21 28 1 0 0 0 0 22 26 1 0 0 0 0 26 25 1 0 0 0 0 28 27 1 0 0 0 0 28 30 2 0 0 0 0 28 29 2 0 0 0 0 M END > (877) 1005 > (877) C19H24N6O4S > (877) 432.49666 > (877) CDK-2 > (877) 5549 > (877) 70 > (877) 875 $$$$ O6-Cyclohexylmethylguanine deriv. 28 csChFnd80/03251016402D 29 32 0 0 0 0 0 0 0 0999 V2000 -1.2188 2.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2188 0.8312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 2.0688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5043 2.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5043 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7652 1.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2803 2.3237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2803 0.9889 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2188 3.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6477 0.8312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 3.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 4.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 6.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6476 5.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6476 4.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2187 4.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2187 5.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3622 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0767 2.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7911 2.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7911 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0767 0.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3622 2.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5056 2.4812 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.7911 2.8937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2201 2.0687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0890 3.0646 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8859 2.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 4 2 2 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 8 5 1 0 0 0 0 6 5 1 0 0 0 0 6 9 1 0 0 0 0 8 7 2 0 0 0 0 9 7 1 0 0 0 0 1 10 1 0 0 0 0 10 12 1 0 0 0 0 2 11 1 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 16 13 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 23 19 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 21 25 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 25 26 2 0 0 0 0 28 29 1 0 0 0 0 M END > (878) 1006 > (878) C19H24N6O3S > (878) 416.49726 > (878) CDK-2 > (878) 5545 > (878) 7 > (878) 876 $$$$ O6-Cyclohexylmethylguanine deriv. 29 csChFnd80/03251016402D 30 33 0 0 0 0 0 0 0 0999 V2000 -1.2188 2.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2188 0.8312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 2.0688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5043 2.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5043 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7652 1.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2803 2.3237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2803 0.9889 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2188 3.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6477 0.8312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 3.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 4.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 6.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6476 5.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6476 4.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2187 4.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2187 5.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3622 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0767 2.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7911 2.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7911 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0767 0.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3622 2.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5056 2.4812 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.7911 2.8937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2201 2.0687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0890 3.0646 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8859 2.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8755 3.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 4 2 2 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 8 5 1 0 0 0 0 6 5 1 0 0 0 0 6 9 1 0 0 0 0 8 7 2 0 0 0 0 9 7 1 0 0 0 0 1 10 1 0 0 0 0 10 12 1 0 0 0 0 2 11 1 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 16 13 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 23 19 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 21 25 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 25 26 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 M END > (879) 1007 > (879) C20H26N6O3S > (879) 430.52384 > (879) CDK-2 > (879) 5546 > (879) 56 > (879) 877 $$$$ O6-Cyclohexylmethylguanine deriv. 30 csChFnd80/03251016402D 28 31 0 0 0 0 0 0 0 0999 V2000 -1.2188 2.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2188 0.8312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 2.0688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5043 2.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5043 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7652 1.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2803 2.3237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2803 0.9889 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2188 3.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6477 0.8312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 3.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 4.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 6.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6476 5.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6476 4.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2187 4.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2187 5.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3622 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0767 2.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7911 2.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7911 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0767 0.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3622 2.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2201 2.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2201 2.8937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5056 2.4812 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.7911 2.8937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 4 2 2 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 8 5 1 0 0 0 0 6 5 1 0 0 0 0 6 9 1 0 0 0 0 8 7 2 0 0 0 0 9 7 1 0 0 0 0 1 10 1 0 0 0 0 10 12 1 0 0 0 0 2 11 1 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 16 13 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 23 19 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 21 27 1 0 0 0 0 27 25 1 0 0 0 0 27 26 2 0 0 0 0 27 28 2 0 0 0 0 M END > (880) 1008 > (880) C19H23N5O3S > (880) 401.48262 > (880) CDK-2 > (880) 5547 > (880) 63 > (880) 878 $$$$ O6-Cyclohexylmethylguanine deriv. 36 csChFnd80/03251016402D 28 31 0 0 0 0 0 0 0 0999 V2000 -1.2188 2.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2188 0.8312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 2.0688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5043 2.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5043 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7652 1.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2803 2.3237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2803 0.9889 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2188 3.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6477 0.8312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 3.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 4.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 6.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6476 5.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6476 4.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2187 4.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2187 5.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3622 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0767 2.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7911 2.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7911 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0767 0.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3622 2.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5056 2.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5056 3.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2200 2.0687 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9345 2.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 4 2 2 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 8 5 1 0 0 0 0 6 5 1 0 0 0 0 6 9 1 0 0 0 0 8 7 2 0 0 0 0 9 7 1 0 0 0 0 1 10 1 0 0 0 0 10 12 1 0 0 0 0 2 11 1 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 16 13 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 23 19 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 21 25 1 0 0 0 0 25 27 1 0 0 0 0 25 26 2 0 0 0 0 27 28 1 0 0 0 0 M END > (881) 1009 > (881) C20H24N6O2 > (881) 380.44356 > (881) CDK-2 > (881) 5552 > (881) 200 > (881) 879 $$$$ O6-Cyclohexylmethylguanine deriv. 34 csChFnd80/03251016402D 27 30 0 0 0 0 0 0 0 0999 V2000 -1.2188 2.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2188 0.8312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 2.0688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5043 2.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5043 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7652 1.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2803 2.3237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2803 0.9889 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2188 3.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6477 0.8312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 3.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 4.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 6.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6476 5.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6476 4.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2187 4.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2187 5.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3622 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0767 2.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7911 2.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7911 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0767 0.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3622 2.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5056 2.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5056 3.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2200 2.0687 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 4 2 2 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 8 5 1 0 0 0 0 6 5 1 0 0 0 0 6 9 1 0 0 0 0 8 7 2 0 0 0 0 9 7 1 0 0 0 0 1 10 1 0 0 0 0 10 12 1 0 0 0 0 2 11 1 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 16 13 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 23 19 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 21 25 1 0 0 0 0 25 27 1 0 0 0 0 25 26 2 0 0 0 0 M END > (882) 1010 > (882) C19H22N6O2 > (882) 366.41698 > (882) CDK-2 > (882) 5551 > (882) 64 > (882) 880 $$$$ O6-Cyclohexylmethylguanine deriv. 38 csChFnd80/03251016402D 27 30 0 0 0 0 0 0 0 0999 V2000 -1.2188 2.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2188 0.8312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 2.0688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5043 2.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5043 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7652 1.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2803 2.3237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2803 0.9889 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2188 3.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6477 0.8312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 3.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 4.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 6.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6476 5.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6476 4.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2187 4.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2187 5.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3622 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0767 2.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7911 2.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7911 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0767 0.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3622 2.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5056 2.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5056 3.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2200 2.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 4 2 2 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 8 5 1 0 0 0 0 6 5 1 0 0 0 0 6 9 1 0 0 0 0 8 7 2 0 0 0 0 9 7 1 0 0 0 0 1 10 1 0 0 0 0 10 12 1 0 0 0 0 2 11 1 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 16 13 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 23 19 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 21 25 1 0 0 0 0 25 27 1 0 0 0 0 25 26 2 0 0 0 0 M END > (883) 1011 > (883) C20H23N5O2 > (883) 365.42892 > (883) CDK-2 > (883) 5554 > (883) 300 > (883) 881 $$$$ O6-Cyclohexylmethylguanine deriv. 37 csChFnd80/03251016402D 29 32 0 0 0 0 0 0 0 0999 V2000 -1.2188 2.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2188 0.8312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 2.0688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5043 2.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5043 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7652 1.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2803 2.3237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2803 0.9889 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2188 3.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6477 0.8312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 3.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 4.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 6.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6476 5.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6476 4.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2187 4.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2187 5.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3622 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0767 2.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7911 2.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7911 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0767 0.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3622 2.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5056 2.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5056 3.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2200 2.0687 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2200 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9345 2.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 4 2 2 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 8 5 1 0 0 0 0 6 5 1 0 0 0 0 6 9 1 0 0 0 0 8 7 2 0 0 0 0 9 7 1 0 0 0 0 1 10 1 0 0 0 0 10 12 1 0 0 0 0 2 11 1 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 16 13 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 23 19 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 21 25 1 0 0 0 0 25 27 1 0 0 0 0 25 26 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 M END > (884) 1012 > (884) C21H26N6O2 > (884) 394.47014 > (884) CDK-2 > (884) 5553 > (884) 200 > (884) 882 $$$$ O6-Cyclohexylmethylguanine deriv. 33 csChFnd80/03251016402D 28 31 0 0 0 0 0 0 0 0999 V2000 -1.2188 2.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2188 0.8312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 2.0688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5043 2.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5043 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7652 1.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2803 2.3237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2803 0.9889 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2188 3.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6477 0.8312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 3.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 4.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 6.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6476 5.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6476 4.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2187 4.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2187 5.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3622 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0767 2.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7911 2.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7911 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0767 0.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3622 2.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2201 1.2437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5056 0.8312 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.7911 0.4187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2201 0.4187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 4 2 2 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 8 5 1 0 0 0 0 6 5 1 0 0 0 0 6 9 1 0 0 0 0 8 7 2 0 0 0 0 9 7 1 0 0 0 0 1 10 1 0 0 0 0 10 12 1 0 0 0 0 2 11 1 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 16 13 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 23 19 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 26 25 1 0 0 0 0 26 28 2 0 0 0 0 26 27 2 0 0 0 0 M END > (885) 1013 > (885) C18H22N6O3S > (885) 402.47068 > (885) CDK-2 > (885) 5550 > (885) 210 > (885) 883 $$$$ O6-Cyclohexylmethylguanine deriv. 41 csChFnd80/03251016402D 28 31 0 0 0 0 0 0 0 0999 V2000 -1.2188 2.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2188 0.8312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 2.0688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5043 2.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5043 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7652 1.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2803 2.3237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2803 0.9889 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2188 3.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6477 0.8312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 3.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 4.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 6.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6476 5.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6476 4.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2187 4.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2187 5.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3622 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0767 2.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7911 2.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7911 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0767 0.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3622 2.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5056 2.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2200 2.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2200 1.2437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9345 2.4812 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 4 2 2 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 8 5 1 0 0 0 0 6 5 1 0 0 0 0 6 9 1 0 0 0 0 8 7 2 0 0 0 0 9 7 1 0 0 0 0 1 10 1 0 0 0 0 10 12 1 0 0 0 0 2 11 1 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 16 13 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 23 19 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 21 25 1 0 0 0 0 25 26 1 0 0 0 0 26 28 1 0 0 0 0 26 27 2 0 0 0 0 M END > (886) 1014 > (886) C20H24N6O2 > (886) 380.44356 > (886) CDK-2 > (886) 5557 > (886) 130 > (886) 884 $$$$ O6-Cyclohexylmethylguanine deriv. 42 csChFnd80/03251016402D 27 30 0 0 0 0 0 0 0 0999 V2000 -1.2188 2.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2188 0.8312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 2.0688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5043 2.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5043 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7652 1.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2803 2.3237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2803 0.9889 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2188 3.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6477 0.8312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 3.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 4.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 6.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6476 5.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6476 4.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2187 4.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2187 5.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3622 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0767 2.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7911 2.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7911 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0767 0.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3622 2.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5056 2.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2200 2.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9345 1.6562 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 4 2 2 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 8 5 1 0 0 0 0 6 5 1 0 0 0 0 6 9 1 0 0 0 0 8 7 2 0 0 0 0 9 7 1 0 0 0 0 1 10 1 0 0 0 0 10 12 1 0 0 0 0 2 11 1 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 16 13 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 23 19 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 21 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 3 0 0 0 0 M END > (887) 1015 > (887) C20H22N6O > (887) 362.42828 > (887) CDK-2 > (887) 5558 > (887) 300 > (887) 885 $$$$ O6-Cyclohexylmethylguanine deriv. 39 csChFnd80/03251016402D 27 30 0 0 0 0 0 0 0 0999 V2000 -1.2188 2.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2188 0.8312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 2.0688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5043 2.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5043 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7652 1.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2803 2.3237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2803 0.9889 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2188 3.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6477 0.8312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 3.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 4.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 6.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6476 5.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6476 4.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2187 4.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2187 5.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3622 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0767 2.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7911 2.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7911 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0767 0.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3622 2.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5056 2.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5056 3.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2200 2.0687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 4 2 2 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 8 5 1 0 0 0 0 6 5 1 0 0 0 0 6 9 1 0 0 0 0 8 7 2 0 0 0 0 9 7 1 0 0 0 0 1 10 1 0 0 0 0 10 12 1 0 0 0 0 2 11 1 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 16 13 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 23 19 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 21 25 1 0 0 0 0 25 27 1 0 0 0 0 25 26 2 0 0 0 0 M END > (888) 1016 > (888) C19H21N5O3 > (888) 367.40174 > (888) CDK-2 > (888) 5555 > (888) 800 > (888) 886 $$$$ aminoimidazo[1,2-a]pyridine deriv. 16 csChFnd80/03251016402D 32 35 0 0 0 0 0 0 0 0999 V2000 -3.4375 1.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1520 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1520 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7230 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7230 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4375 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0086 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0086 -0.6813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2941 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5796 1.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2941 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5796 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1036 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8882 0.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3731 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8882 1.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1036 0.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1981 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0086 1.7938 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.4375 -0.6813 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1431 -0.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9453 -0.6447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5598 -1.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9723 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2652 -1.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6778 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2652 -2.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5598 -2.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6777 -0.3210 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7973 -1.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6776 -3.1789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2651 -3.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 6 4 1 0 0 0 0 4 5 2 0 0 0 0 5 19 1 0 0 0 0 6 20 1 0 0 0 0 4 7 1 0 0 0 0 7 9 1 0 0 0 0 7 8 2 0 0 0 0 11 9 1 0 0 0 0 9 12 2 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 12 17 1 0 0 0 0 14 17 1 0 0 0 0 17 13 1 0 0 0 0 16 13 2 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 14 21 1 0 0 0 0 21 23 1 0 0 0 0 21 22 2 0 0 0 0 24 23 1 0 0 0 0 23 25 2 0 0 0 0 24 28 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 24 30 1 0 0 0 0 25 29 1 0 0 0 0 27 31 1 0 0 0 0 31 32 1 0 0 0 0 M END > (889) 1017 > (889) C22H13F4N3O3 > (889) 443.3505328 > (889) CDK-2 > (889) 6679 > (889) 91 > (889) 887 $$$$ aminoimidazo[1,2-a]pyridine deriv. 15 csChFnd80/03251016402D 30 33 0 0 0 0 0 0 0 0999 V2000 -3.4375 1.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1520 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1520 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7230 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7230 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4375 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0086 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0086 -0.6813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2941 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5796 1.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2941 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5796 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1036 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8882 0.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3731 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8882 1.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1036 0.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1981 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0086 1.7938 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.4375 -0.6813 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1431 -0.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9453 -0.6447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5598 -1.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9723 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2652 -1.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6778 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2652 -2.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5598 -2.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7973 -1.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6777 -0.3210 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 6 4 1 0 0 0 0 4 5 2 0 0 0 0 5 19 1 0 0 0 0 6 20 1 0 0 0 0 4 7 1 0 0 0 0 7 9 1 0 0 0 0 7 8 2 0 0 0 0 11 9 1 0 0 0 0 9 12 2 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 12 17 1 0 0 0 0 14 17 1 0 0 0 0 17 13 1 0 0 0 0 16 13 2 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 14 21 1 0 0 0 0 21 23 1 0 0 0 0 21 22 2 0 0 0 0 24 23 1 0 0 0 0 23 25 2 0 0 0 0 24 28 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 24 29 1 0 0 0 0 25 30 1 0 0 0 0 M END > (890) 1018 > (890) C21H11ClF3N3O2 > (890) 429.7791496 > (890) CDK-2 > (890) 6678 > (890) 102 > (890) 888 $$$$ aminoimidazo[1,2-a]pyridine deriv. 37 csChFnd80/03251016402D 33 36 0 0 0 0 0 0 0 0999 V2000 -3.4375 1.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1520 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1520 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7230 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7230 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4375 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0086 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0086 -0.6813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2941 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5796 1.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2941 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5796 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1036 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8882 0.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3731 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8882 1.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1036 0.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1981 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1431 -0.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5598 -1.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9723 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2652 -1.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6778 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2652 -2.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5598 -2.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6777 -0.3210 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7973 -1.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0086 1.7938 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.4375 -0.6813 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.9453 -0.6447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6776 -3.1789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2651 -3.8933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5026 -3.1790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 6 4 1 0 0 0 0 4 5 2 0 0 0 0 5 28 1 0 0 0 0 6 29 1 0 0 0 0 4 7 1 0 0 0 0 7 9 1 0 0 0 0 7 8 2 0 0 0 0 11 9 1 0 0 0 0 9 12 2 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 12 17 1 0 0 0 0 14 17 1 0 0 0 0 17 13 1 0 0 0 0 16 13 2 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 14 19 1 0 0 0 0 19 20 1 0 0 0 0 19 30 2 0 0 0 0 21 20 1 0 0 0 0 20 22 2 0 0 0 0 21 25 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 22 26 1 0 0 0 0 21 27 1 0 0 0 0 24 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 M END > (892) 1020 > (892) C22H12Cl2F2N4O3 > (892) 489.2584864 > (892) CDK-2 > (892) 6686 > (892) 46 > (892) 890 $$$$ aminoimidazo[1,2-a]pyridine deriv. 31 csChFnd80/03251016402D 30 33 0 0 0 0 0 0 0 0999 V2000 -3.4375 1.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1520 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1520 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7230 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7230 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4375 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0086 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0086 -0.6813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2941 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5796 1.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2941 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5796 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1036 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8882 0.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3731 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8882 1.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1036 0.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1981 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1431 -0.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5598 -1.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9723 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2652 -1.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6778 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2652 -2.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5598 -2.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6777 -0.3210 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7973 -1.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0086 1.7938 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.9453 -0.6447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4375 -0.6813 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 6 4 1 0 0 0 0 4 5 2 0 0 0 0 5 28 1 0 0 0 0 6 30 1 0 0 0 0 4 7 1 0 0 0 0 7 9 1 0 0 0 0 7 8 2 0 0 0 0 11 9 1 0 0 0 0 9 12 2 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 12 17 1 0 0 0 0 14 17 1 0 0 0 0 17 13 1 0 0 0 0 16 13 2 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 14 19 1 0 0 0 0 19 20 1 0 0 0 0 19 29 2 0 0 0 0 21 20 1 0 0 0 0 20 22 2 0 0 0 0 21 25 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 22 26 1 0 0 0 0 21 27 1 0 0 0 0 M END > (893) 1021 > (893) C21H11ClF3N3O2 > (893) 429.7791496 > (893) CDK-2 > (893) 6687 > (893) 33 > (893) 891 $$$$ aminoimidazo[1,2-a]pyridine deriv. 36 csChFnd80/03251016402D 33 36 0 0 0 0 0 0 0 0999 V2000 -3.4375 1.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1520 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1520 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7230 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7230 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4375 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0086 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0086 -0.6813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2941 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5796 1.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2941 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5796 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1036 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8882 0.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3731 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8882 1.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1036 0.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1981 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1431 -0.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5598 -1.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9723 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2652 -1.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6778 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2652 -2.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5598 -2.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6777 -0.3210 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7973 -1.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0086 1.7938 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.4375 -0.6813 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.9453 -0.6447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6776 -3.1789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2651 -3.8933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5026 -3.1790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 6 4 1 0 0 0 0 4 5 2 0 0 0 0 5 28 1 0 0 0 0 6 29 1 0 0 0 0 4 7 1 0 0 0 0 7 9 1 0 0 0 0 7 8 2 0 0 0 0 11 9 1 0 0 0 0 9 12 2 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 12 17 1 0 0 0 0 14 17 1 0 0 0 0 17 13 1 0 0 0 0 16 13 2 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 14 19 1 0 0 0 0 19 20 1 0 0 0 0 19 30 2 0 0 0 0 21 20 1 0 0 0 0 20 22 2 0 0 0 0 21 25 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 22 26 1 0 0 0 0 21 27 1 0 0 0 0 24 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 M END > (895) 1023 > (895) C22H11Cl2F2N3O4 > (895) 490.2432464 > (895) CDK-2 > (895) 6685 > (895) 95 > (895) 893 $$$$ aminoimidazo[1,2-a]pyridine deriv. 17 csChFnd80/03251016402D 28 31 0 0 0 0 0 0 0 0999 V2000 -3.4375 1.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1520 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1520 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7230 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7230 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4375 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0086 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0086 -0.6813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2941 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5796 1.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2941 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5796 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1036 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8882 0.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3731 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8882 1.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1036 0.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1981 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0086 1.7938 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.4375 -0.6813 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1431 -0.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5598 -1.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9723 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2652 -1.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6778 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2652 -2.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5598 -2.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9453 -0.6447 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 6 4 1 0 0 0 0 4 5 2 0 0 0 0 5 19 1 0 0 0 0 6 20 1 0 0 0 0 4 7 1 0 0 0 0 7 9 1 0 0 0 0 7 8 2 0 0 0 0 11 9 1 0 0 0 0 9 12 2 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 12 17 1 0 0 0 0 14 17 1 0 0 0 0 17 13 1 0 0 0 0 16 13 2 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 14 21 1 0 0 0 0 21 22 1 0 0 0 0 21 28 2 0 0 0 0 23 22 1 0 0 0 0 22 24 2 0 0 0 0 23 27 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 M END > (896) 1024 > (896) C21H13F2N3OS > (896) 393.4092264 > (896) CDK-2 > (896) 6682 > (896) 214 > (896) 894 $$$$ aminoimidazo[1,2-a]pyridine deriv. 38 csChFnd80/03251016402D 30 33 0 0 0 0 0 0 0 0999 V2000 -3.4375 1.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1520 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1520 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7230 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7230 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4375 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0086 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0086 -0.6813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2941 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5796 1.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2941 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5796 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1036 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8882 0.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3731 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8882 1.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1036 0.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1981 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0086 1.7938 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.4375 -0.6813 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1431 -0.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9453 -0.6447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5598 -1.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9723 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2652 -1.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6778 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2652 -2.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5598 -2.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7973 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2098 -2.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 6 4 1 0 0 0 0 4 5 2 0 0 0 0 5 19 1 0 0 0 0 6 20 1 0 0 0 0 4 7 1 0 0 0 0 7 9 1 0 0 0 0 7 8 2 0 0 0 0 11 9 1 0 0 0 0 9 12 2 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 12 17 1 0 0 0 0 14 17 1 0 0 0 0 17 13 1 0 0 0 0 16 13 2 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 14 21 1 0 0 0 0 21 23 1 0 0 0 0 21 22 2 0 0 0 0 24 23 1 0 0 0 0 23 25 2 0 0 0 0 24 28 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 24 29 1 0 0 0 0 29 30 1 0 0 0 0 M END > (898) 1026 > (898) C22H15F2N3O3 > (898) 407.3696064 > (898) CDK-2 > (898) 6680 > (898) 68 > (898) 896 $$$$ aminoimidazo[1,2-a]pyridine deriv. 42 csChFnd80/03251016402D 30 33 0 0 0 0 0 0 0 0999 V2000 -3.4375 1.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1520 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1520 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7230 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7230 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4375 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0086 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0086 -0.6813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2941 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5796 1.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2941 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5796 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1036 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8882 0.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3731 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8882 1.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1036 0.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1981 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0086 1.7938 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.4375 -0.6813 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1431 -0.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9453 -0.6447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5598 -1.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9723 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2652 -1.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6778 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2652 -2.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5598 -2.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7973 -1.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6777 -0.3210 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 6 4 1 0 0 0 0 4 5 2 0 0 0 0 5 19 1 0 0 0 0 6 20 1 0 0 0 0 4 7 1 0 0 0 0 7 9 1 0 0 0 0 7 8 2 0 0 0 0 11 9 1 0 0 0 0 9 12 2 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 12 17 1 0 0 0 0 14 17 1 0 0 0 0 17 13 1 0 0 0 0 16 13 2 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 14 21 1 0 0 0 0 21 23 1 0 0 0 0 21 22 2 0 0 0 0 24 23 1 0 0 0 0 23 25 2 0 0 0 0 24 28 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 24 29 1 0 0 0 0 25 30 1 0 0 0 0 M END > (899) 1027 > (899) C21H11Cl2F2N3O2 > (899) 446.2337464 > (899) CDK-2 > (899) 6681 > (899) 121 > (899) 897 $$$$ aminoimidazo[1,2-a]pyridine deriv. 2l csChFnd80/03251016402D 29 32 0 0 0 0 0 0 0 0999 V2000 -3.4375 1.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1520 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1520 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7230 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7230 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4375 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0086 1.7938 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.4375 -0.6813 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.0086 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0086 -0.6813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2941 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5796 1.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2941 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5796 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1036 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8882 0.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3731 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8882 1.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1036 0.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1981 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6106 0.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8481 -0.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4356 0.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1981 -0.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6106 -1.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4356 -1.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8481 -1.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6731 -1.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4356 -2.5723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 6 4 1 0 0 0 0 4 5 2 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 4 9 1 0 0 0 0 9 11 1 0 0 0 0 9 10 2 0 0 0 0 13 11 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 14 19 1 0 0 0 0 16 19 1 0 0 0 0 19 15 1 0 0 0 0 18 15 2 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 23 21 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 26 2 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 29 1 0 0 0 0 27 28 2 0 0 0 0 M END > (900) 1028 > (900) C21H13Cl2N3O3 > (900) 426.25222 > (900) CDK-2 > (900) 6673 > (900) 740 > (900) 898 $$$$ aminoimidazo[1,2-a]pyridine deriv. 2i csChFnd80/03251016402D 30 33 0 0 0 0 0 0 0 0999 V2000 -3.4375 1.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1520 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1520 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7230 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7230 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4375 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0086 1.7938 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.4375 -0.6813 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.0086 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0086 -0.6813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2941 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5796 1.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2941 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5796 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1036 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8882 0.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3731 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8882 1.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1036 0.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1981 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6106 0.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8481 -0.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4356 0.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1981 -0.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6106 -1.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4356 -1.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4356 -2.5723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2606 -1.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8481 -1.8579 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2606 -2.5724 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 6 4 1 0 0 0 0 4 5 2 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 4 9 1 0 0 0 0 9 11 1 0 0 0 0 9 10 2 0 0 0 0 13 11 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 14 19 1 0 0 0 0 16 19 1 0 0 0 0 19 15 1 0 0 0 0 18 15 2 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 23 21 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 26 2 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 29 1 0 0 0 0 29 27 2 0 0 0 0 29 28 2 0 0 0 0 29 30 1 0 0 0 0 M END > (902) 1030 > (902) C20H14Cl2N4O3S > (902) 461.32116 > (902) CDK-2 > (902) 6670 > (902) 560 > (902) 900 $$$$ aminoimidazo[1,2-a]pyridine deriv. 2j csChFnd80/03251016402D 33 36 0 0 0 0 0 0 0 0999 V2000 -3.4375 1.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1520 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1520 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7230 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7230 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4375 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0086 1.7938 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.4375 -0.6813 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.0086 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0086 -0.6813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2941 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5796 1.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2941 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5796 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1036 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8882 0.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3731 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8882 1.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1036 0.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1981 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6106 0.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8481 -0.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4356 0.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1981 -0.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6106 -1.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4356 -1.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4356 -2.5723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8481 -1.8579 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2606 -1.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6731 -1.8579 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0856 -2.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6731 -3.2868 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9106 -2.5724 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 6 4 1 0 0 0 0 4 5 2 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 4 9 1 0 0 0 0 9 11 1 0 0 0 0 9 10 2 0 0 0 0 13 11 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 14 19 1 0 0 0 0 16 19 1 0 0 0 0 19 15 1 0 0 0 0 18 15 2 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 23 21 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 26 2 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 28 1 0 0 0 0 28 27 2 0 0 0 0 28 30 1 0 0 0 0 28 29 2 0 0 0 0 30 31 1 0 0 0 0 31 33 1 0 0 0 0 31 32 2 0 0 0 0 M END > (903) 1031 > (903) C21H16Cl2N6O3S > (903) 503.36114 > (903) CDK-2 > (903) 6671 > (903) 250 > (903) 901 $$$$ aminoimidazo[1,2-a]pyridine deriv. 2k csChFnd80/03251016402D 38 42 0 0 0 0 0 0 0 0999 V2000 -3.4375 1.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1520 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1520 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7230 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7230 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4375 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0086 1.7938 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.4375 -0.6813 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.0086 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0086 -0.6813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2941 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5796 1.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2941 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5796 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1036 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8882 0.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3731 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8882 1.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1036 0.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1981 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6106 0.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8481 -0.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4356 0.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1981 -0.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6106 -1.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4356 -1.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4356 -2.5723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8481 -1.8579 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2606 -1.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6731 -1.8579 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0856 -2.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6731 -3.2868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9106 -2.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3231 -3.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1481 -3.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5606 -2.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1481 -1.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3231 -1.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 6 4 1 0 0 0 0 4 5 2 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 4 9 1 0 0 0 0 9 11 1 0 0 0 0 9 10 2 0 0 0 0 13 11 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 14 19 1 0 0 0 0 16 19 1 0 0 0 0 19 15 1 0 0 0 0 18 15 2 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 23 21 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 26 2 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 28 1 0 0 0 0 28 27 2 0 0 0 0 28 30 1 0 0 0 0 28 29 2 0 0 0 0 30 31 1 0 0 0 0 31 33 1 0 0 0 0 31 32 2 0 0 0 0 33 34 1 0 0 0 0 33 38 2 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 M END > (904) 1032 > (904) C27H18Cl2N4O4S > (904) 565.42722 > (904) CDK-2 > (904) 6672 > (904) 670 > (904) 902 $$$$