Structure16 csChFnd80/03251016402D 20 23 0 0 0 0 0 0 0 0999 V2000 0.2893 2.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.6995 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6795 2.2207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2132 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2487 0.9421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7790 5.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3794 5.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4691 4.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6795 4.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7790 3.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3794 3.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2176 7.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 7.9957 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9503 7.1747 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5327 7.6038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8312 8.9754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7862 9.9084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1564 9.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0985 10.4495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5280 9.1155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 5 4 2 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 10 8 2 0 0 0 0 11 9 2 0 0 0 0 11 10 1 0 0 0 0 12 6 1 0 0 0 0 7 6 2 0 0 0 0 13 12 2 0 0 0 0 14 7 1 0 0 0 0 14 13 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 3 11 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 18 1 0 0 0 0 M END > (12) 16 > (12) C15H13N3OS > (12) 283.34822 > (12) CDK-2 > (12) 85 > (12) 17707953 > (12) 484 > (12) 2008 > (12) 10 $$$$ Structure17 csChFnd80/03251016402D 21 24 0 0 0 0 0 0 0 0999 V2000 2.2151 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0688 0.2982 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9364 2.2555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7009 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8432 3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6310 4.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8392 2.3880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4234 3.7828 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6350 1.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4229 2.3822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8902 4.7113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3148 5.9915 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9266 5.8449 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2436 4.4253 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1879 5.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7494 6.7944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6309 0.2952 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 10.5501 5.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8886 5.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5934 4.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 5 4 2 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 10 8 2 0 0 0 0 11 9 2 0 0 0 0 11 10 1 0 0 0 0 12 6 1 0 0 0 0 7 6 2 0 0 0 0 13 12 2 0 0 0 0 14 7 1 0 0 0 0 14 13 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 1 11 1 0 0 0 0 10 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 19 1 0 0 0 0 M END > (13) 17 > (13) C14H11BrN4OS > (13) 363.23234 > (13) CDK-2 > (13) 87 > (13) 17707953 > (13) 639 > (13) 2008 > (13) 11 $$$$ Structure30 csChFnd80/03251016402D 16 18 0 0 0 0 0 0 0 0999 V2000 2.4249 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 2.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5793 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 0.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 3.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2522 4.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5584 4.1552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6848 6.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9910 5.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 6.5271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3604 5.7777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 11 10 1 0 0 0 0 12 10 2 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 15 14 2 0 0 0 0 7 10 1 0 0 0 0 14 16 1 0 0 0 0 M END > (14) 30 > (14) C11H9N5 > (14) 211.22266 > (14) CDK-2 > (14) 127 > (14) 18232649 > (14) 90 > (14) 2008 > (14) 12 $$$$ Structure31 csChFnd80/03251016402D 17 19 0 0 0 0 0 0 0 0999 V2000 2.4249 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 2.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5793 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 0.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 3.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2522 4.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5584 4.1552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6848 6.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9910 5.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 6.5271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3604 5.7777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 4.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 11 10 1 0 0 0 0 12 10 2 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 15 14 2 0 0 0 0 7 10 1 0 0 0 0 14 16 1 0 0 0 0 3 17 1 0 0 0 0 M END > (15) 31 > (15) C11H9N5O > (15) 227.22206 > (15) CDK-2 > (15) 130 > (15) 18232649 > (15) 18 > (15) 2008 > (15) 13 $$$$ Structure213 csChFnd80/03251016402D 18 20 0 0 0 0 0 0 0 0999 V2000 5.6318 -13.1266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6318 -11.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9508 -10.8421 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2697 -11.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2697 -13.1266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9508 -13.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7182 -11.1330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6134 -12.3651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7182 -13.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1492 -16.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6786 -15.3623 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1888 -15.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1698 -16.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6404 -17.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1301 -17.9426 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6389 -17.1274 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9508 -15.4111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6318 -16.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 9 12 1 0 0 0 0 10 16 1 0 0 0 0 6 17 1 0 0 0 0 17 18 1 0 0 0 0 M END > (146) 213 > (146) C12H11N5O > (146) 241.24864 > (146) CDK-2 > (146) 1270 > (146) Cancer Res 2007; 67: (17). September 1, 2007 > (146) 110 > (146) 2007 > (146) 144 $$$$ Structure223 csChFnd80/03251016402D 17 19 0 0 0 0 0 0 0 0999 V2000 5.6318 -15.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6318 -17.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9508 -17.9426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2697 -17.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2697 -15.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9508 -14.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7182 -17.6517 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6134 -16.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7182 -15.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6404 -11.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1698 -12.6072 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1888 -13.7390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6786 -13.4224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1492 -11.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1301 -10.8421 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6213 -10.0269 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9508 -13.3736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 9 12 1 0 0 0 0 10 16 1 0 0 0 0 6 17 1 0 0 0 0 M END > (147) 223 > (147) C12H10N4O > (147) 226.234 > (147) CDK-2 > (147) 1283 > (147) Cancer Res 2007; 67: (17). September 1, 2007 > (147) 3100 > (147) 2007 > (147) 145 $$$$ Structure224 csChFnd80/03251016402D 19 21 0 0 0 0 0 0 0 0999 V2000 5.6318 -13.1266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6318 -11.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9508 -10.8421 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2697 -11.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2697 -13.1266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9508 -13.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7182 -11.1330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6134 -12.3651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7182 -13.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1492 -16.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6786 -15.3623 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1888 -15.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1698 -16.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6404 -17.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1301 -17.9426 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6389 -17.1274 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9508 -15.4111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6318 -16.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6318 -17.6956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 9 12 1 0 0 0 0 10 16 1 0 0 0 0 6 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 M END > (148) 224 > (148) C13H13N5O > (148) 255.27522 > (148) CDK-2 > (148) 1284 > (148) Cancer Res 2007; 67: (17). September 1, 2007 > (148) 7 > (148) 2007 > (148) 146 $$$$ Structure34 csChFnd80/03251016402D 20 22 0 0 0 0 0 0 0 0999 V2000 3.6373 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9688 2.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7917 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9688 0.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4014 3.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4646 4.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7708 4.1552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8972 6.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2034 5.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2667 6.5271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5728 5.7777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 4.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 11 10 1 0 0 0 0 12 10 2 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 15 14 2 0 0 0 0 7 10 1 0 0 0 0 14 16 1 0 0 0 0 3 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 M END > (18) 34 > (18) C14H15N5O > (18) 269.3018 > (18) CDK-2 > (18) 139 > (18) 18232649 > (18) 3 > (18) 2008 > (18) 16 $$$$ Structure35 csChFnd80/03251016402D 20 22 0 0 0 0 0 0 0 0999 V2000 3.6373 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9688 2.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7917 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9688 0.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4014 3.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4646 4.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7708 4.1552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8972 6.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2034 5.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2667 6.5271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5728 5.7777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 4.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 11 10 1 0 0 0 0 12 10 2 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 15 14 2 0 0 0 0 7 10 1 0 0 0 0 14 16 1 0 0 0 0 3 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 M END > (19) 35 > (19) C14H15N5O > (19) 269.3018 > (19) CDK-2 > (19) 142 > (19) 18232649 > (19) 5.1 > (19) 2008 > (19) 17 $$$$ Structure37 csChFnd80/03251016402D 18 20 0 0 0 0 0 0 0 0999 V2000 2.4249 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 3.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 1.0641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7563 3.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 2.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7563 1.3315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 4.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2522 5.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5584 5.2193 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6848 7.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9910 6.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 7.5912 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3604 6.8418 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 5.2641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 11 10 1 0 0 0 0 12 10 2 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 15 14 2 0 0 0 0 7 10 1 0 0 0 0 14 16 1 0 0 0 0 3 17 1 0 0 0 0 9 18 1 0 0 0 0 M END > (20) 37 > (20) C12H11N5O > (20) 241.24864 > (20) CDK-2 > (20) 148 > (20) 18232649 > (20) 1800 > (20) 2008 > (20) 18 $$$$ Structure39 csChFnd80/03251016402D 17 19 0 0 0 0 0 0 0 0999 V2000 2.4249 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7563 2.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7563 0.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 3.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2522 4.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5584 4.1552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6848 6.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9910 5.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 6.5271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3604 5.7777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 4.2000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 11 10 1 0 0 0 0 12 10 2 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 15 14 2 0 0 0 0 7 10 1 0 0 0 0 14 16 1 0 0 0 0 3 17 1 0 0 0 0 M END > (21) 39 > (21) C11H8ClN5 > (21) 245.66772 > (21) CDK-2 > (21) 154 > (21) 18232649 > (21) 60 > (21) 2008 > (21) 19 $$$$ Structure1 csChFnd80/03251016402D 22 25 0 0 0 0 0 0 0 0999 V2000 7.2653 4.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0531 4.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2613 2.7992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8456 4.1939 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0618 2.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8496 2.8019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2955 5.1321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7368 6.4029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3405 6.2609 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6656 4.8371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6018 5.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1682 7.2186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6375 2.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6367 0.7011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4254 2.8012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4246 0.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2127 2.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 0.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9766 5.5926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3025 6.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0071 4.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 4 2 0 0 0 0 6 5 1 0 0 0 0 7 1 1 0 0 0 0 2 1 2 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 14 13 1 0 0 0 0 15 13 2 0 0 0 0 16 14 2 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 18 17 2 0 0 0 0 6 13 1 0 0 0 0 18 19 1 0 0 0 0 11 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 20 1 0 0 0 0 M END > (3) 1 > (3) C16H14N4O2 > (3) 294.30796 > (3) CDK-2 > (3) 41 > (3) 17707953 > (3) 13 > (3) 2008 > (3) 1 $$$$ Structure41 csChFnd80/03251016402D 19 21 0 0 0 0 0 0 0 0999 V2000 2.4249 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 2.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 0.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 3.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2522 4.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5584 4.1552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6848 6.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9910 5.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 6.5271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3604 5.7777 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 4.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7930 7.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 11 10 1 0 0 0 0 12 10 2 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 15 14 2 0 0 0 0 7 10 1 0 0 0 0 14 16 1 0 0 0 0 3 17 1 0 0 0 0 17 18 1 0 0 0 0 16 19 1 0 0 0 0 M END > (23) 41 > (23) C13H12N4OS > (23) 272.32558 > (23) CDK-2 > (23) 160 > (23) 18232649 > (23) 2100 > (23) 2008 > (23) 21 $$$$ Structure42 csChFnd80/03251016402D 16 18 0 0 0 0 0 0 0 0999 V2000 2.4249 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 2.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 0.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 3.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2522 4.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5584 4.1552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6848 6.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9910 5.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 6.5271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 4.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 11 10 1 0 0 0 0 12 10 2 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 15 14 2 0 0 0 0 7 10 1 0 0 0 0 3 16 1 0 0 0 0 M END > (24) 42 > (24) C11H8N4O > (24) 212.20742 > (24) CDK-2 > (24) 163 > (24) 18232649 > (24) 700 > (24) 2008 > (24) 22 $$$$ Structure43 csChFnd80/03251016402D 17 19 0 0 0 0 0 0 0 0999 V2000 2.4249 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7563 2.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7563 0.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 3.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2522 4.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5584 4.1552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6848 6.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9910 5.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 6.5271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 4.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 11 10 1 0 0 0 0 12 10 2 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 15 14 2 0 0 0 0 7 10 1 0 0 0 0 3 16 1 0 0 0 0 16 17 1 0 0 0 0 M END > (25) 43 > (25) C12H10N4O > (25) 226.234 > (25) CDK-2 > (25) 166 > (25) 18232649 > (25) 800 > (25) 2008 > (25) 23 $$$$ Structure44 csChFnd80/03251016402D 23 26 0 0 0 0 0 0 0 0999 V2000 2.4249 3.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 4.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 1.8600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 4.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5793 3.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 2.1273 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 5.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2522 6.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5584 6.0151 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6848 8.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9910 7.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 8.3870 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 6.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9715 3.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5408 1.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3257 0.8485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7179 0.7021 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7363 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0255 7.9447 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 11 10 1 0 0 0 0 12 10 2 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 15 14 2 0 0 0 0 7 10 1 0 0 0 0 3 16 1 0 0 0 0 16 17 1 0 0 0 0 18 8 1 0 0 0 0 9 8 1 0 0 0 0 19 18 2 0 0 0 0 20 9 1 0 0 0 0 21 19 1 0 0 0 0 21 20 2 0 0 0 0 20 22 1 0 0 0 0 14 23 1 0 0 0 0 M END > (26) 44 > (26) C15H13N7O > (26) 307.31002 > (26) CDK-2 > (26) 169 > (26) 18232649 > (26) 80 > (26) 2008 > (26) 24 $$$$ Structure45 csChFnd80/03251016402D 35 40 0 0 0 0 0 0 0 0999 V2000 14.4435 9.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2664 8.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0511 9.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6969 7.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4817 8.1534 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3046 7.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1503 7.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1503 6.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4817 5.8881 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9219 6.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9219 4.9469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7094 7.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7094 4.2469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4970 6.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4970 4.9469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2533 6.7795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0762 5.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2535 4.5142 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8631 9.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6860 10.3762 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6860 8.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0175 9.9435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0176 8.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4631 9.2436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1501 10.7665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7817 3.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 2.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5528 0.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3239 2.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 2.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 1.4000 0.0000 C 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 1.2124 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 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 1 0 0 0 0 7 5 1 0 0 0 0 8 7 2 0 0 0 0 9 6 2 0 0 0 0 9 8 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 16 10 1 0 0 0 0 11 10 1 0 0 0 0 17 16 2 0 0 0 0 18 11 1 0 0 0 0 18 17 1 0 0 0 0 20 19 1 0 0 0 0 21 19 1 0 0 0 0 22 20 1 0 0 0 0 23 21 2 0 0 0 0 23 22 1 0 0 0 0 19 24 2 0 0 0 0 22 25 2 0 0 0 0 16 21 1 0 0 0 0 13 26 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 18 29 1 0 0 0 0 31 30 2 0 0 0 0 32 30 1 0 0 0 0 27 30 1 0 0 0 0 7 23 1 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 > (27) 45 > (27) C26H23N5O4 > (27) 469.49192 > (27) CDK-2 > (27) 536 > (27) 15267232 > (27) 3400 > (27) 2004 > (27) 25 $$$$ pyrazolo[1,5-a]pyrimidine 9m csChFnd80/03251016402D 33 37 0 0 0 0 0 0 0 0999 V2000 -1.0000 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7145 1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7145 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2855 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4991 0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9840 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 2.5250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7145 2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4289 2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7145 3.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4289 4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1434 3.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1434 2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4412 4.7584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2745 4.7584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2855 1.2875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 0.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4991 1.5425 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8579 4.1750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4289 0.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1434 0.4625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8579 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5723 1.2875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5723 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8579 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1434 1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2868 1.7000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7541 -0.5770 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.5724 3.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8496 3.3743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3775 2.6977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5881 2.9377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3520 4.0324 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 3 17 2 0 0 0 0 17 4 1 0 0 0 0 18 16 1 0 0 0 0 18 6 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 4 16 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 9 8 1 0 0 0 0 8 10 2 0 0 0 0 9 13 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 19 1 0 0 0 0 19 14 2 0 0 0 0 19 15 2 0 0 0 0 5 28 1 0 0 0 0 3 20 1 0 0 0 0 21 20 1 6 0 0 0 19 29 1 0 0 0 0 25 21 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 23 27 1 1 0 0 0 32 29 2 0 0 0 0 33 29 1 0 0 0 0 33 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 M END > (266) 347 > (266) C22H23ClN6O2S2 > (266) 503.04002 > (266) CDK-2 > (266) 11440 > (266) 11 > (266) 264 $$$$ pyrazolo[1,5-a]pyrimidine 9n csChFnd80/03251016402D 34 38 0 0 0 0 0 0 0 0999 V2000 -1.0000 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7145 1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7145 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2855 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4991 0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9840 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 2.5250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7145 2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4289 2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7145 3.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4289 4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1434 3.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1434 2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4412 4.7584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2745 4.7584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2855 1.2875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 0.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4991 1.5425 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8579 4.1750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4289 0.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1434 0.4625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8579 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5723 1.2875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5723 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8579 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1434 1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2868 1.7000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5724 3.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2869 4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0013 3.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0013 2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2869 2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5724 2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7541 -0.5770 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 3 17 2 0 0 0 0 17 4 1 0 0 0 0 18 16 1 0 0 0 0 18 6 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 4 16 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 9 8 1 0 0 0 0 8 10 2 0 0 0 0 9 13 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 19 1 0 0 0 0 19 14 2 0 0 0 0 19 15 2 0 0 0 0 5 34 1 0 0 0 0 3 20 1 0 0 0 0 21 20 1 6 0 0 0 19 28 1 0 0 0 0 25 21 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 23 27 1 1 0 0 0 33 28 1 0 0 0 0 29 28 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 M END > (267) 348 > (267) C24H25BrN6O2S > (267) 541.4633 > (267) CDK-2 > (267) 11441 > (267) 16 > (267) 265 $$$$ triazolo[1,5-a]pyrimidine 11 csChFnd80/03251016402D 27 30 0 0 0 0 0 0 0 0999 V2000 -1.0625 2.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7770 2.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7770 1.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0625 1.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 1.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 2.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4914 1.1437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4914 0.3187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2049 -0.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2029 -0.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7740 -0.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5055 -0.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4875 -1.3313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7760 -0.0920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9920 0.1648 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9888 -1.1700 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3664 3.6188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3664 2.7938 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1633 3.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7789 2.0793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6309 -0.9222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3454 0.3153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0598 -0.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0598 -0.9222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3454 -1.3347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6309 -0.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9164 -1.3347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 18 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 10 13 2 0 0 0 0 13 11 1 0 0 0 0 15 14 1 0 0 0 0 15 12 2 0 0 0 0 11 16 2 0 0 0 0 16 12 1 0 0 0 0 11 14 1 0 0 0 0 10 27 1 0 0 0 0 18 17 1 0 0 0 0 18 20 2 0 0 0 0 18 19 2 0 0 0 0 27 21 1 0 0 0 0 25 21 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 M END > (269) 350 > (269) C17H21N7O2S > (269) 387.45934 > (269) CDK-2 > (269) 11449 > (269) 730 > (269) 267 $$$$ Structure46 csChFnd80/03251016402D 37 43 0 0 0 0 0 0 0 0999 V2000 14.4435 9.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2664 8.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0511 9.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6970 7.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4817 8.1534 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3047 7.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1503 7.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1504 6.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4817 5.8881 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9219 6.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9219 4.9469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7094 7.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7094 4.2469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4970 6.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4970 4.9469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2534 6.7795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0762 5.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2535 4.5142 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8631 9.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6861 10.3762 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6860 8.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0175 9.9435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0177 8.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4631 9.2436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1501 10.7665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7817 3.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 2.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5528 0.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3239 2.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 2.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 3.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 4.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 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 1 0 0 0 0 7 5 1 0 0 0 0 8 7 2 0 0 0 0 9 6 2 0 0 0 0 9 8 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 16 10 1 0 0 0 0 11 10 1 0 0 0 0 17 16 2 0 0 0 0 18 11 1 0 0 0 0 18 17 1 0 0 0 0 20 19 1 0 0 0 0 21 19 1 0 0 0 0 22 20 1 0 0 0 0 23 21 2 0 0 0 0 23 22 1 0 0 0 0 19 24 2 0 0 0 0 22 25 2 0 0 0 0 16 21 1 0 0 0 0 13 26 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 18 29 1 0 0 0 0 31 30 2 0 0 0 0 27 30 1 0 0 0 0 7 23 1 0 0 0 0 33 32 1 0 0 0 0 34 32 1 0 0 0 0 35 33 1 0 0 0 0 36 34 1 0 0 0 0 37 35 1 0 0 0 0 37 36 1 0 0 0 0 30 32 1 0 0 0 0 M END > (28) 46 > (28) C28H26N6O3 > (28) 494.54444 > (28) CDK-2 > (28) 538 > (28) 15267232 > (28) 5400 > (28) 2004 > (28) 26 $$$$ triazolo[1,5-a]pyrimidine 14 csChFnd80/03251016402D 28 31 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 -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 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 22 21 1 1 0 0 0 22 23 1 0 0 0 0 22 27 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 26 27 1 0 0 0 0 25 28 1 6 0 0 0 M END > (280) 361 > (280) C17H22N8O2S > (280) 402.47398 > (280) CDK-2 > (280) 11452 > (280) 270 > (280) 278 $$$$ Structure48 csChFnd80/03251016402D 37 43 0 0 0 0 0 0 0 0999 V2000 14.4435 9.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2664 8.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0511 9.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6970 7.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4817 8.1534 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3047 7.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1503 7.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1504 6.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4817 5.8881 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9219 6.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9219 4.9469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7094 7.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7094 4.2469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4970 6.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4970 4.9469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2534 6.7795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0762 5.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2535 4.5142 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8631 9.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6861 10.3762 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6860 8.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0175 9.9435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0177 8.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4631 9.2436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1501 10.7665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7817 3.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 2.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5528 0.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3239 2.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 2.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 3.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 4.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.5001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 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 1 0 0 0 0 7 5 1 0 0 0 0 8 7 2 0 0 0 0 9 6 2 0 0 0 0 9 8 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 16 10 1 0 0 0 0 11 10 1 0 0 0 0 17 16 2 0 0 0 0 18 11 1 0 0 0 0 18 17 1 0 0 0 0 20 19 1 0 0 0 0 21 19 1 0 0 0 0 22 20 1 0 0 0 0 23 21 2 0 0 0 0 23 22 1 0 0 0 0 19 24 2 0 0 0 0 22 25 2 0 0 0 0 16 21 1 0 0 0 0 13 26 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 18 29 1 0 0 0 0 31 30 2 0 0 0 0 27 30 1 0 0 0 0 7 23 1 0 0 0 0 33 32 1 0 0 0 0 34 32 1 0 0 0 0 35 33 1 0 0 0 0 36 34 1 0 0 0 0 37 35 1 0 0 0 0 37 36 1 0 0 0 0 30 32 1 0 0 0 0 M END > (29) 48 > (29) C27H24N6O4 > (29) 496.51726 > (29) CDK-2 > (29) 542 > (29) 15267232 > (29) 5300 > (29) 2004 > (29) 27 $$$$ pyrazolo[1,5-a]pyrimidine 9l csChFnd80/03251016402D 32 35 0 0 0 0 0 0 0 0999 V2000 -1.0000 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7145 1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7145 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2855 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4991 0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9840 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 2.5250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7145 2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4289 2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7145 3.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4289 4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1434 3.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1434 2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4412 4.7584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2745 4.7584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2855 1.2875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 0.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4991 1.5425 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8579 4.1750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.5724 3.7625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2869 4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5724 2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4289 5.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7541 -0.5770 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.4289 0.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1434 0.4625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8579 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5723 1.2875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5723 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8579 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1434 1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2868 1.7000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 3 17 2 0 0 0 0 17 4 1 0 0 0 0 18 16 1 0 0 0 0 18 6 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 4 16 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 9 8 1 0 0 0 0 8 10 2 0 0 0 0 9 13 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 19 1 0 0 0 0 19 14 2 0 0 0 0 19 15 2 0 0 0 0 5 24 1 0 0 0 0 3 25 1 0 0 0 0 26 25 1 6 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 11 23 1 0 0 0 0 30 26 1 0 0 0 0 26 31 1 0 0 0 0 27 28 1 0 0 0 0 27 31 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 28 32 1 1 0 0 0 M END > (284) 367 > (284) C20H25BrClN7O2S > (284) 542.8802 > (284) CDK-2 > (284) 11439 > (284) 2 > (284) 282 $$$$ pyrazolo[1,5-a]pyrimidine 9e csChFnd80/03251016402D 31 34 0 0 0 0 0 0 0 0999 V2000 -1.0000 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7145 1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7145 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2855 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4991 0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9840 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 2.5250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7145 2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4289 2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7145 3.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4289 4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1434 3.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1434 2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8579 4.1750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.4412 4.7584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2745 4.7584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5723 3.7625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5723 2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2868 4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2855 1.2875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 0.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4991 1.5425 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4289 0.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1434 0.4625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8579 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1434 1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8579 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5723 1.2875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5723 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2868 1.7000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7541 -0.5770 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 3 21 2 0 0 0 0 21 4 1 0 0 0 0 22 20 1 0 0 0 0 22 6 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 4 20 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 9 8 1 0 0 0 0 8 10 2 0 0 0 0 9 13 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 17 1 0 0 0 0 14 15 2 0 0 0 0 14 16 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 5 31 1 0 0 0 0 3 23 1 0 0 0 0 24 23 1 6 0 0 0 25 24 1 0 0 0 0 24 26 1 0 0 0 0 25 29 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 28 30 1 1 0 0 0 M END > (288) 371 > (288) C20H26BrN7O2S > (288) 508.43514 > (288) CDK-2 > (288) 11432 > (288) 10 > (288) 286 $$$$ pyrazolo[1,5-a]pyrimidine 9d csChFnd80/03251016402D 31 34 0 0 0 0 0 0 0 0999 V2000 -1.0000 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7145 1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7145 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2855 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4991 0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9840 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 2.5250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7145 2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4289 2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7145 3.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4289 4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1434 3.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1434 2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8579 4.1750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.4412 4.7584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2745 4.7584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5723 3.7625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5723 2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2868 4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2855 1.2875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 0.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4991 1.5425 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4289 0.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1434 0.4625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8579 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1434 1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8579 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5723 1.2875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5723 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2868 1.7000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7541 -0.5770 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 3 21 2 0 0 0 0 21 4 1 0 0 0 0 22 20 1 0 0 0 0 22 6 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 4 20 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 9 8 1 0 0 0 0 8 10 2 0 0 0 0 9 13 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 17 1 0 0 0 0 14 15 2 0 0 0 0 14 16 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 5 31 1 0 0 0 0 3 23 1 0 0 0 0 24 23 1 6 0 0 0 25 24 1 0 0 0 0 24 26 1 0 0 0 0 25 29 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 28 30 1 1 0 0 0 M END > (289) 372 > (289) C20H26ClN7O2S > (289) 463.98414 > (289) CDK-2 > (289) 11431 > (289) 8 > (289) 287 $$$$ pyrazolo[1,5-a]pyrimidine 9c csChFnd80/03251016402D 32 35 0 0 0 0 0 0 0 0999 V2000 -1.0000 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7145 1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7145 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2855 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4991 0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9840 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 2.5250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7145 2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4289 2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7145 3.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4289 4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1434 3.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1434 2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8579 4.1750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.4412 4.7584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2745 4.7584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5723 3.7625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5723 2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2868 4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2855 1.2875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 0.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4991 1.5425 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4289 0.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1434 0.4625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8579 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1434 1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8579 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5723 1.2875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5723 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2868 1.7000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7541 -0.5770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9676 -1.3739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 3 21 2 0 0 0 0 21 4 1 0 0 0 0 22 20 1 0 0 0 0 22 6 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 4 20 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 9 8 1 0 0 0 0 8 10 2 0 0 0 0 9 13 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 17 1 0 0 0 0 14 15 2 0 0 0 0 14 16 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 5 31 1 0 0 0 0 3 23 1 0 0 0 0 24 23 1 6 0 0 0 25 24 1 0 0 0 0 24 26 1 0 0 0 0 25 29 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 28 30 1 1 0 0 0 31 32 3 0 0 0 0 M END > (290) 373 > (290) C21H26N8O2S > (290) 454.54854 > (290) CDK-2 > (290) 11430 > (290) 7 > (290) 288 $$$$ Structure49 csChFnd80/03251016402D 34 39 0 0 0 0 0 0 0 0999 V2000 13.2310 9.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0540 8.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8386 9.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4845 7.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2693 8.1534 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0922 7.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9378 7.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9379 6.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2692 5.8881 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7095 6.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7095 4.9469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4969 7.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4969 4.2469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2845 6.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2845 4.9469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0409 6.7795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8638 5.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0411 4.5142 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6506 9.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4736 10.3762 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4735 8.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8051 9.9435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8052 8.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2506 9.2436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9376 10.7665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5693 3.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 2.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3404 0.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1114 2.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 2.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 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 1 0 0 0 0 7 5 1 0 0 0 0 8 7 2 0 0 0 0 9 6 2 0 0 0 0 9 8 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 16 10 1 0 0 0 0 11 10 1 0 0 0 0 17 16 2 0 0 0 0 18 11 1 0 0 0 0 18 17 1 0 0 0 0 20 19 1 0 0 0 0 21 19 1 0 0 0 0 22 20 1 0 0 0 0 23 21 2 0 0 0 0 23 22 1 0 0 0 0 19 24 2 0 0 0 0 22 25 2 0 0 0 0 16 21 1 0 0 0 0 13 26 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 18 29 1 0 0 0 0 31 30 2 0 0 0 0 27 30 1 0 0 0 0 7 23 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 M END > (30) 49 > (30) C25H22N6O3 > (30) 454.48058 > (30) CDK-2 > (30) 544 > (30) 15267232 > (30) 2100 > (30) 2004 > (30) 28 $$$$ Structure50 csChFnd80/03251016402D 38 44 0 0 0 0 0 0 0 0999 V2000 14.4435 9.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2664 8.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0511 9.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6970 7.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4817 8.1534 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3047 7.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1503 7.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1504 6.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4817 5.8881 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9219 6.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9219 4.9469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7094 7.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7094 4.2469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4970 6.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4970 4.9469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2534 6.7795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0762 5.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2535 4.5142 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8631 9.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6861 10.3762 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6860 8.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0175 9.9435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0177 8.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4631 9.2436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1501 10.7665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7817 3.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 2.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5528 0.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3239 2.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 2.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 3.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 4.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2845 7.0469 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 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 1 0 0 0 0 7 5 1 0 0 0 0 8 7 2 0 0 0 0 9 6 2 0 0 0 0 9 8 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 16 10 1 0 0 0 0 11 10 1 0 0 0 0 17 16 2 0 0 0 0 18 11 1 0 0 0 0 18 17 1 0 0 0 0 20 19 1 0 0 0 0 21 19 1 0 0 0 0 22 20 1 0 0 0 0 23 21 2 0 0 0 0 23 22 1 0 0 0 0 19 24 2 0 0 0 0 22 25 2 0 0 0 0 16 21 1 0 0 0 0 13 26 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 18 29 1 0 0 0 0 31 30 2 0 0 0 0 27 30 1 0 0 0 0 7 23 1 0 0 0 0 33 32 1 0 0 0 0 34 32 1 0 0 0 0 35 33 1 0 0 0 0 36 34 1 0 0 0 0 37 35 1 0 0 0 0 37 36 1 0 0 0 0 30 32 1 0 0 0 0 14 38 1 0 0 0 0 M END > (31) 50 > (31) C28H25FN6O3 > (31) 512.5349032 > (31) CDK-2 > (31) 546 > (31) 15267232 > (31) 2800 > (31) 2004 > (31) 29 $$$$ Structure2 csChFnd80/03251016402D 28 32 0 0 0 0 0 0 0 0999 V2000 7.2670 6.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0546 6.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2630 4.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8468 6.2892 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0632 4.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8508 4.8969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2975 7.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7386 8.4987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3420 8.3567 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6679 6.9325 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6044 7.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1707 9.3147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6384 4.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6376 2.7955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4260 4.8962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4252 2.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2130 4.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2127 2.7948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0546 2.8012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 2.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 2.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2662 0.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8414 0.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0535 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9795 7.6882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0102 6.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3056 8.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 4 2 0 0 0 0 6 5 1 0 0 0 0 7 1 1 0 0 0 0 2 1 2 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 14 13 1 0 0 0 0 15 13 2 0 0 0 0 16 14 2 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 18 17 2 0 0 0 0 6 13 1 0 0 0 0 18 19 1 0 0 0 0 21 20 1 0 0 0 0 22 20 2 0 0 0 0 23 21 2 0 0 0 0 24 22 1 0 0 0 0 25 23 1 0 0 0 0 25 24 2 0 0 0 0 5 20 1 0 0 0 0 11 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 26 1 0 0 0 0 M END > (4) 2 > (4) C22H18N4O2 > (4) 370.40392 > (4) CDK-2 > (4) 48 > (4) 17707953 > (4) 5 > (4) 2008 > (4) 2 $$$$ Structure52 csChFnd80/03251016402D 23 26 0 0 0 0 0 0 0 0999 V2000 7.2746 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 2.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6061 4.6326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4290 3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6061 2.3674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0387 5.9641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4081 6.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8407 7.5867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3449 5.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6764 4.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6360 3.8454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 4.9000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 7 10 1 0 0 0 0 12 11 2 0 0 0 0 10 11 1 0 0 0 0 14 13 1 0 0 0 0 15 13 2 0 0 0 0 16 14 2 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 18 17 2 0 0 0 0 6 13 1 0 0 0 0 20 19 1 0 0 0 0 21 19 1 0 0 0 0 11 19 1 0 0 0 0 5 22 1 0 0 0 0 21 20 1 0 0 0 0 18 23 1 0 0 0 0 M END > (32) 52 > (32) C16H13BrN4O2 > (32) 373.20402 > (32) CDK-2 > (32) 674 > (32) 12941333 > (32) 5 > (32) 2003 > (32) 30 $$$$ 13 csChFnd80/03251016402D 24 26 0 0 0 0 0 0 0 0999 V2000 -2.8750 2.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2875 1.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2076 2.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8750 3.3705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5424 2.0606 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7724 0.6086 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4625 1.2760 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4229 2.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8099 1.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8792 0.9414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1188 0.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4205 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0066 1.9516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2426 1.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8926 1.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4801 1.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6551 1.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6551 0.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4801 0.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7176 1.1764 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5145 1.3899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5041 1.9733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1301 0.4619 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2513 3.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 3 1 0 0 0 0 5 2 1 0 0 0 0 2 7 1 0 0 0 0 7 3 1 0 0 0 0 1 4 2 0 0 0 0 2 6 2 0 0 0 0 3 8 2 0 0 0 0 8 9 1 0 0 0 0 13 9 1 0 0 0 0 9 10 2 0 0 0 0 13 12 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 14 1 0 0 0 0 17 14 1 0 0 0 0 14 18 2 0 0 0 0 15 16 1 0 0 0 0 15 19 2 0 0 0 0 16 17 2 0 0 0 0 18 19 1 0 0 0 0 15 20 1 0 0 0 0 20 23 1 0 0 0 0 20 22 2 0 0 0 0 20 21 2 0 0 0 0 8 24 1 0 0 0 0 M END > (317) 400 > (317) C15H13N3O4S2 > (317) 363.41142 > (317) CDK-2 > (317) 17151 > (317) 30 > (317) 315 $$$$ 12 csChFnd80/03251016402D 24 26 0 0 0 0 0 0 0 0999 V2000 -2.8750 2.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2875 1.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2076 2.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8750 3.3705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5424 2.0606 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7724 0.6086 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4625 1.2760 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4229 2.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8099 1.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8792 0.9414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1188 0.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4205 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0066 1.9516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2426 1.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8926 1.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4801 1.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6551 1.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6551 0.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4801 0.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7176 1.1764 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5145 1.3899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5041 1.9733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1301 0.4619 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8926 -0.2526 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 3 1 0 0 0 0 5 2 1 0 0 0 0 2 7 1 0 0 0 0 7 3 1 0 0 0 0 1 4 2 0 0 0 0 2 6 2 0 0 0 0 3 8 2 0 0 0 0 8 9 1 0 0 0 0 13 9 1 0 0 0 0 9 10 2 0 0 0 0 13 12 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 14 1 0 0 0 0 17 14 1 0 0 0 0 14 18 2 0 0 0 0 15 16 1 0 0 0 0 15 19 2 0 0 0 0 16 17 2 0 0 0 0 18 19 1 0 0 0 0 15 20 1 0 0 0 0 20 23 1 0 0 0 0 20 22 2 0 0 0 0 20 21 2 0 0 0 0 19 24 1 0 0 0 0 M END > (318) 401 > (318) C14H10ClN3O4S2 > (318) 383.8299 > (318) CDK-2 > (318) 17150 > (318) 570 > (318) 316 $$$$ 7 csChFnd80/03251016402D 28 30 0 0 0 0 0 0 0 0999 V2000 -2.8750 2.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2875 1.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2076 2.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8750 3.3705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5424 2.0606 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7724 0.6086 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4625 1.2760 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4229 2.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8099 1.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8792 0.9414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1188 0.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4205 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0066 1.9516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2426 1.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8926 1.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4801 1.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6551 1.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6551 0.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4801 0.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7176 1.1764 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7176 2.0014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7176 0.3514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5426 1.1764 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9551 0.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7801 0.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1926 -0.2525 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0176 -0.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7801 -0.9670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 3 1 0 0 0 0 5 2 1 0 0 0 0 2 7 1 0 0 0 0 7 3 1 0 0 0 0 1 4 2 0 0 0 0 2 6 2 0 0 0 0 3 8 2 0 0 0 0 8 9 1 0 0 0 0 13 9 1 0 0 0 0 9 10 2 0 0 0 0 13 12 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 14 1 0 0 0 0 17 14 1 0 0 0 0 14 18 2 0 0 0 0 15 16 1 0 0 0 0 15 19 2 0 0 0 0 16 17 2 0 0 0 0 18 19 1 0 0 0 0 15 20 1 0 0 0 0 20 23 1 0 0 0 0 20 21 2 0 0 0 0 20 22 2 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 M END > (330) 413 > (330) C18H20N4O4S2 > (330) 420.5058 > (330) CDK-2 > (330) 17145 > (330) 570 > (330) 328 $$$$ 1 csChFnd80/03251016402D 23 25 0 0 0 0 0 0 0 0999 V2000 -2.8750 2.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2875 1.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2076 2.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8750 3.3705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5424 2.0606 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7724 0.6086 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4625 1.2760 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4229 2.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8099 1.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8792 0.9414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1188 0.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4205 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0066 1.9516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2426 1.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8926 1.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4801 1.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6551 1.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6551 0.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4801 0.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7176 1.1764 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7176 2.0014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5145 1.3899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1301 0.4619 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 3 1 0 0 0 0 5 2 1 0 0 0 0 2 7 1 0 0 0 0 7 3 1 0 0 0 0 1 4 2 0 0 0 0 2 6 2 0 0 0 0 3 8 2 0 0 0 0 8 9 1 0 0 0 0 13 9 1 0 0 0 0 9 10 2 0 0 0 0 13 12 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 14 1 0 0 0 0 17 14 1 0 0 0 0 14 18 2 0 0 0 0 15 16 1 0 0 0 0 15 19 2 0 0 0 0 16 17 2 0 0 0 0 18 19 1 0 0 0 0 15 20 1 0 0 0 0 20 23 1 0 0 0 0 20 21 2 0 0 0 0 20 22 2 0 0 0 0 M END > (331) 414 > (331) C14H11N3O4S2 > (331) 349.38484 > (331) CDK-2 > (331) 17141 > (331) 180 > (331) 329 $$$$ Structure54 csChFnd80/03251016402D 23 26 0 0 0 0 0 0 0 0999 V2000 7.2746 5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6061 6.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4290 4.9000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6061 3.7674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0387 7.3641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4081 7.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8407 8.9867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3449 6.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6764 6.1821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6360 5.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 7 10 1 0 0 0 0 12 11 2 0 0 0 0 10 11 1 0 0 0 0 14 13 1 0 0 0 0 15 13 2 0 0 0 0 16 14 2 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 18 17 2 0 0 0 0 6 13 1 0 0 0 0 20 19 1 0 0 0 0 21 19 1 0 0 0 0 11 19 1 0 0 0 0 21 20 1 0 0 0 0 18 22 1 0 0 0 0 16 23 1 0 0 0 0 M END > (34) 54 > (34) C16H13BrN4O2 > (34) 373.20402 > (34) CDK-2 > (34) 677 > (34) 12941333 > (34) 2 > (34) 2003 > (34) 32 $$$$ 6 csChFnd80/03251016402D 24 26 0 0 0 0 0 0 0 0999 V2000 -2.8750 2.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2875 1.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2076 2.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8750 3.3705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5424 2.0606 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7724 0.6086 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4625 1.2760 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4229 2.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8099 1.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8792 0.9414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1188 0.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4205 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0066 1.9516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2426 1.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8926 1.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4801 1.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6551 1.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6551 0.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4801 0.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7176 1.1764 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9311 1.9733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5145 1.3899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1301 0.4619 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7176 -0.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 3 1 0 0 0 0 5 2 1 0 0 0 0 2 7 1 0 0 0 0 7 3 1 0 0 0 0 1 4 2 0 0 0 0 2 6 2 0 0 0 0 3 8 2 0 0 0 0 8 9 1 0 0 0 0 13 9 1 0 0 0 0 9 10 2 0 0 0 0 13 12 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 14 1 0 0 0 0 17 14 1 0 0 0 0 14 18 2 0 0 0 0 15 16 1 0 0 0 0 15 19 2 0 0 0 0 16 17 2 0 0 0 0 18 19 1 0 0 0 0 15 20 1 0 0 0 0 20 23 1 0 0 0 0 20 21 2 0 0 0 0 20 22 2 0 0 0 0 23 24 1 0 0 0 0 M END > (332) 415 > (332) C15H13N3O4S2 > (332) 363.41142 > (332) CDK-2 > (332) 17144 > (332) 120 > (332) 330 $$$$ 11 csChFnd80/03251016402D 27 29 0 0 0 0 0 0 0 0999 V2000 -2.8750 2.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2875 1.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2076 2.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8750 3.3705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5424 2.0606 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7724 0.6086 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4625 1.2760 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4229 2.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8099 1.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8792 0.9414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1188 0.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4205 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0066 1.9516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2426 1.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8926 1.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4801 1.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6551 1.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6551 0.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4801 0.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7176 1.1764 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5145 1.3899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5041 1.9733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1301 0.4619 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8926 -0.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6071 0.1600 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3051 -0.9670 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1781 -0.6650 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 3 1 0 0 0 0 5 2 1 0 0 0 0 2 7 1 0 0 0 0 7 3 1 0 0 0 0 1 4 2 0 0 0 0 2 6 2 0 0 0 0 3 8 2 0 0 0 0 8 9 1 0 0 0 0 13 9 1 0 0 0 0 9 10 2 0 0 0 0 13 12 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 14 1 0 0 0 0 17 14 1 0 0 0 0 14 18 2 0 0 0 0 15 16 1 0 0 0 0 15 19 2 0 0 0 0 16 17 2 0 0 0 0 18 19 1 0 0 0 0 15 20 1 0 0 0 0 20 23 1 0 0 0 0 20 22 2 0 0 0 0 20 21 2 0 0 0 0 19 24 1 0 0 0 0 24 26 1 0 0 0 0 24 25 1 0 0 0 0 24 27 1 0 0 0 0 M END > (340) 424 > (340) C15H10F3N3O4S2 > (340) 417.3828096 > (340) CDK-2 > (340) 17149 > (340) 610 > (340) 338 $$$$ Structure55 csChFnd80/03251016402D 23 26 0 0 0 0 0 0 0 0999 V2000 7.2746 5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6061 6.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4290 4.9000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6061 3.7674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0387 7.3641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4081 7.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8407 8.9867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3449 6.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6764 6.1821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6360 5.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 7 10 1 0 0 0 0 12 11 2 0 0 0 0 10 11 1 0 0 0 0 14 13 1 0 0 0 0 15 13 2 0 0 0 0 16 14 2 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 18 17 2 0 0 0 0 6 13 1 0 0 0 0 20 19 1 0 0 0 0 21 19 1 0 0 0 0 11 19 1 0 0 0 0 21 20 1 0 0 0 0 18 22 1 0 0 0 0 16 23 1 0 0 0 0 M END > (35) 55 > (35) C16H13ClN4O2 > (35) 328.75302 > (35) CDK-2 > (35) 679 > (35) 12941333 > (35) 2 > (35) 2003 > (35) 33 $$$$ 4-Acylamino-6-arylfuro[2,3-d]pyrimidine 19 csChFnd80/03251016402D 21 24 0 0 0 0 0 0 0 0999 V2000 -2.3750 1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0895 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0895 1.2250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 -0.0125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6605 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8759 1.4800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6605 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8759 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3910 0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4340 0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8468 1.5268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8462 0.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6712 0.0975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0840 0.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 2.4625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0052 3.8428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7916 3.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9947 2.8324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4308 2.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1912 3.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6718 1.5265 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 5 1 0 0 0 0 3 2 1 0 0 0 0 2 4 2 0 0 0 0 4 7 1 0 0 0 0 1 15 1 0 0 0 0 6 5 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 7 5 2 0 0 0 0 9 10 1 0 0 0 0 11 10 1 0 0 0 0 10 12 2 0 0 0 0 21 11 2 0 0 0 0 21 14 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 15 17 1 0 0 0 0 17 16 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 20 18 1 0 0 0 0 19 20 1 0 0 0 0 M END > (343) 427 > (343) C15H12N4O2 > (343) 280.28138 > (343) CDK-2 > (343) 8574 > (343) 447 > (343) 341 $$$$ 4-Acylamino-6-arylfuro[2,3-d]pyrimidine 24 csChFnd80/03251016402D 23 26 0 0 0 0 0 0 0 0999 V2000 -2.3750 1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0895 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0895 1.2250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 -0.0125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6605 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8759 1.4800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6605 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8759 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3910 0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4340 0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8468 1.5268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8462 0.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0840 0.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 2.4625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0052 3.8428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7916 3.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6718 1.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9947 2.8324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3273 3.3173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7398 2.0478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0852 2.0478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3402 2.8324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6712 0.0975 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 5 1 0 0 0 0 3 2 1 0 0 0 0 2 4 2 0 0 0 0 4 7 1 0 0 0 0 1 14 1 0 0 0 0 6 5 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 7 5 2 0 0 0 0 9 10 1 0 0 0 0 11 10 1 0 0 0 0 10 12 2 0 0 0 0 17 11 2 0 0 0 0 17 13 1 0 0 0 0 12 23 1 0 0 0 0 23 13 2 0 0 0 0 14 16 1 0 0 0 0 16 15 2 0 0 0 0 16 18 1 0 0 0 0 19 18 1 0 0 0 0 18 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 M END > (345) 429 > (345) C17H16N4O2 > (345) 308.33454 > (345) CDK-2 > (345) 8579 > (345) 457 > (345) 343 $$$$ Structure57 csChFnd80/03251016402D 22 25 0 0 0 0 0 0 0 0999 V2000 6.0622 5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3937 6.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2166 4.9000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3937 3.7674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8263 7.3641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1957 7.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6283 8.9867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1325 6.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4639 6.1821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4235 5.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 7 10 1 0 0 0 0 12 11 2 0 0 0 0 10 11 1 0 0 0 0 14 13 1 0 0 0 0 15 13 2 0 0 0 0 16 14 2 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 18 17 2 0 0 0 0 6 13 1 0 0 0 0 20 19 1 0 0 0 0 21 19 1 0 0 0 0 11 19 1 0 0 0 0 21 20 1 0 0 0 0 16 22 1 0 0 0 0 M END > (37) 57 > (37) C16H14N4O2 > (37) 294.30796 > (37) CDK-2 > (37) 681 > (37) 12941333 > (37) 62 > (37) 2003 > (37) 35 $$$$ Structure58 csChFnd80/03251016402D 31 34 0 0 0 0 0 0 0 0999 V2000 8.4000 6.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7000 4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7000 7.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3000 4.8458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3000 7.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 6.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7694 5.7672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9157 4.3749 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6368 3.8054 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8098 6.7040 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1413 6.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1817 7.2081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 6.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 7.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 7.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 6.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4324 4.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7638 4.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 8.4831 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 14.0549 3.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3864 2.6673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.4268 3.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6775 1.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7583 3.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0090 0.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0494 1.8020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3808 1.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6719 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 7 10 1 0 0 0 0 12 11 2 0 0 0 0 10 11 1 0 0 0 0 14 13 1 0 0 0 0 15 13 2 0 0 0 0 16 14 2 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 18 17 2 0 0 0 0 6 13 1 0 0 0 0 20 19 1 0 0 0 0 11 19 1 0 0 0 0 18 21 1 0 0 0 0 5 22 1 0 0 0 0 20 23 1 0 0 0 0 25 24 1 0 0 0 0 26 24 1 0 0 0 0 27 25 1 0 0 0 0 28 26 1 0 0 0 0 29 27 1 0 0 0 0 29 28 1 0 0 0 0 23 24 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 M END > (38) 58 > (38) C22H27BrN6O2 > (38) 487.39278 > (38) CDK-2 > (38) 682 > (38) 12941333 > (38) 6 > (38) 2003 > (38) 36 $$$$ pyrazolo[1,5-b]pyridazine deriv. 16 csChFnd80/03251016402D 22 25 0 0 0 0 0 0 0 0999 V2000 -0.1562 2.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5582 2.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5582 3.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 2.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1402 2.8438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 3.5112 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 3.2563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1562 3.6688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 2.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 1.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3698 0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3698 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 0.9389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 -0.2987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2264 -0.2987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4881 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2025 1.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4881 0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2025 -0.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8 7 1 0 0 0 0 8 3 2 0 0 0 0 4 1 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 6 7 1 0 0 0 0 4 7 1 0 0 0 0 9 4 2 0 0 0 0 6 5 2 0 0 0 0 5 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 15 2 0 0 0 0 15 13 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 19 17 1 0 0 0 0 17 20 2 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 M END > (379) 466 > (379) C16H12N6 > (379) 288.30668 > (379) CDK-2 > (379) 8126 > (379) 5 > (379) 377 $$$$ pyrazolo[1,5-b]pyridazine deriv. 19 csChFnd80/03251016402D 24 27 0 0 0 0 0 0 0 0999 V2000 -0.1562 2.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5582 2.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5582 3.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 2.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1402 2.8438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 3.5112 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 3.2563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1562 3.6688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 2.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 1.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3698 0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3698 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 0.9389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 -0.2987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2264 -0.2987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4881 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2025 1.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4881 0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2025 -0.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6315 -0.2987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3459 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8 7 1 0 0 0 0 8 3 2 0 0 0 0 4 1 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 6 7 1 0 0 0 0 4 7 1 0 0 0 0 9 4 2 0 0 0 0 6 5 2 0 0 0 0 5 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 15 2 0 0 0 0 15 13 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 19 17 1 0 0 0 0 17 20 2 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 M END > (380) 467 > (380) C17H14N6O > (380) 318.33266 > (380) CDK-2 > (380) 8128 > (380) 2 > (380) 378 $$$$ Structure60 csChFnd80/03251016402D 16 18 0 0 0 0 0 0 0 0999 V2000 3.6373 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9688 2.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7917 1.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9688 0.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4014 3.8641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7708 4.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2034 5.4867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7076 3.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0391 2.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9987 1.7454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 7 10 1 0 0 0 0 12 11 2 0 0 0 0 10 11 1 0 0 0 0 14 13 1 0 0 0 0 11 13 1 0 0 0 0 13 15 1 0 0 0 0 15 14 1 0 0 0 0 6 16 1 0 0 0 0 M END > (39) 60 > (39) C11H11N3O2 > (39) 217.22394 > (39) CDK-2 > (39) 686 > (39) 12941333 > (39) 5 > (39) 2003 > (39) 37 $$$$ Structure74 csChFnd80/03251016402D 20 23 0 0 0 0 0 0 0 0999 V2000 2.2157 1.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0694 0.2911 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9368 2.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8531 3.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8531 2.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6406 4.4834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6406 1.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4282 3.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4282 2.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1845 4.2160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0074 3.0834 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1845 1.9508 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6172 5.5475 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9866 5.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4192 7.1701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9233 4.7982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2548 4.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2144 3.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 5 4 2 0 0 0 0 8 6 2 0 0 0 0 9 7 2 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 11 10 2 0 0 0 0 12 6 1 0 0 0 0 7 6 1 0 0 0 0 13 12 2 0 0 0 0 14 7 1 0 0 0 0 14 13 1 0 0 0 0 12 15 1 0 0 0 0 17 16 2 0 0 0 0 15 16 1 0 0 0 0 19 18 1 0 0 0 0 16 18 1 0 0 0 0 18 20 1 0 0 0 0 20 19 1 0 0 0 0 1 11 1 0 0 0 0 M END > (40) 74 > (40) C15H14N4O > (40) 266.29786 > (40) CDK-2 > (40) 714 > (40) 12941333 > (40) 497 > (40) 2003 > (40) 38 $$$$ Structure75 csChFnd80/03251016402D 20 23 0 0 0 0 0 0 0 0999 V2000 2.2157 1.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0694 0.2911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9368 2.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8531 3.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8531 2.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6406 4.4834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6406 1.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4282 3.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4282 2.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1845 4.2160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0074 3.0834 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1845 1.9508 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6172 5.5475 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9866 5.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4192 7.1701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9233 4.7982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2548 4.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2144 3.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 5 4 2 0 0 0 0 8 6 2 0 0 0 0 9 7 2 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 11 10 2 0 0 0 0 12 6 1 0 0 0 0 7 6 1 0 0 0 0 13 12 2 0 0 0 0 14 7 1 0 0 0 0 14 13 1 0 0 0 0 12 15 1 0 0 0 0 17 16 2 0 0 0 0 15 16 1 0 0 0 0 19 18 1 0 0 0 0 16 18 1 0 0 0 0 18 20 1 0 0 0 0 20 19 1 0 0 0 0 1 11 1 0 0 0 0 M END > (41) 75 > (41) C15H13N3O2 > (41) 267.28262 > (41) CDK-2 > (41) 716 > (41) 12941333 > (41) 631 > (41) 2003 > (41) 39 $$$$ Structure78 csChFnd80/03251016402D 20 23 0 0 0 0 0 0 0 0999 V2000 2.2157 1.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0694 0.2911 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9368 2.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8531 3.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8531 2.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6406 4.4834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6406 1.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4282 3.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4282 2.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1845 4.2160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0074 3.0834 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1845 1.9508 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6172 5.5475 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9866 5.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4192 7.1701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9233 4.7982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2548 4.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2144 3.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 5 4 2 0 0 0 0 8 6 2 0 0 0 0 9 7 2 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 11 10 2 0 0 0 0 12 6 1 0 0 0 0 7 6 1 0 0 0 0 13 12 2 0 0 0 0 14 7 1 0 0 0 0 14 13 1 0 0 0 0 12 15 1 0 0 0 0 17 16 2 0 0 0 0 15 16 1 0 0 0 0 19 18 1 0 0 0 0 16 18 1 0 0 0 0 18 20 1 0 0 0 0 20 19 1 0 0 0 0 1 11 1 0 0 0 0 M END > (43) 78 > (43) C15H13N3OS > (43) 283.34822 > (43) CDK-2 > (43) 722 > (43) 12941333 > (43) 341 > (43) 2003 > (43) 41 $$$$ Structure79 csChFnd80/03251016402D 21 24 0 0 0 0 0 0 0 0999 V2000 2.2157 1.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0694 0.2911 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9368 2.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8531 3.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8531 2.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6406 4.4834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6406 1.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4282 3.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4282 2.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1845 4.2160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0074 3.0834 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1845 1.9508 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6172 5.5475 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9866 5.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4192 7.1701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9233 4.7982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2548 4.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2144 3.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2157 4.4834 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 5 4 2 0 0 0 0 8 6 2 0 0 0 0 9 7 2 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 11 10 2 0 0 0 0 12 6 1 0 0 0 0 7 6 1 0 0 0 0 13 12 2 0 0 0 0 14 7 1 0 0 0 0 14 13 1 0 0 0 0 12 15 1 0 0 0 0 17 16 2 0 0 0 0 15 16 1 0 0 0 0 19 18 1 0 0 0 0 16 18 1 0 0 0 0 18 20 1 0 0 0 0 20 19 1 0 0 0 0 1 11 1 0 0 0 0 10 21 1 0 0 0 0 M END > (44) 79 > (44) C15H12BrN3OS > (44) 362.24428 > (44) CDK-2 > (44) 724 > (44) 12941333 > (44) 639 > (44) 2003 > (44) 42 $$$$ 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 $$$$ indazole analogue 12 csChFnd80/03251016402D 22 25 0 0 0 0 0 0 0 0999 V2000 0.1789 1.6688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9420 2.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2117 2.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6395 2.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6067 1.6120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4336 2.6599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8917 1.9738 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3806 1.3261 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7195 3.4338 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5327 3.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8186 4.3470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0599 2.9386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2173 2.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8399 2.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8765 1.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1562 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8707 1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1562 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4418 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4418 1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8707 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5852 0.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 15 5 2 0 0 0 0 6 4 1 0 0 0 0 4 5 1 0 0 0 0 5 8 1 0 0 0 0 6 7 2 0 0 0 0 8 7 1 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 14 12 1 0 0 0 0 13 14 1 0 0 0 0 16 17 1 0 0 0 0 16 20 2 0 0 0 0 17 21 2 0 0 0 0 21 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 1 20 1 0 0 0 0 21 22 1 0 0 0 0 M END > (469) 571 > (469) C17H15N3O2 > (469) 293.3199 > (469) CDK-2 > (469) 8370 > (469) 5 > (469) 467 $$$$ pyrazolo[1,5-b]pyridazine deriv. 54 csChFnd80/03251016402D 27 31 0 0 0 0 0 0 0 0999 V2000 -0.1562 2.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5582 2.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5582 3.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 2.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1402 2.8438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 3.5112 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 3.2563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1562 3.6688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 2.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 1.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3698 0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3698 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 0.9389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 -0.2987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2264 -0.2987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5705 -0.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6507 0.8502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8406 0.6944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1105 -0.7089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2727 3.6688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1908 0.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9207 -0.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2709 -1.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5410 -0.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0009 0.3512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 -1.2079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8 7 1 0 0 0 0 8 3 2 0 0 0 0 4 1 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 6 7 1 0 0 0 0 4 7 1 0 0 0 0 9 4 2 0 0 0 0 6 5 2 0 0 0 0 5 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 15 2 0 0 0 0 15 13 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 3 21 1 0 0 0 0 16 17 1 0 0 0 0 19 17 1 0 0 0 0 17 20 2 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 20 23 1 0 0 0 0 26 22 1 0 0 0 0 26 25 1 0 0 0 0 23 27 1 0 0 0 0 27 24 1 0 0 0 0 24 25 1 0 0 0 0 23 22 2 0 0 0 0 M END > (479) 584 > (479) C19H16N6O2 > (479) 360.36934 > (479) CDK-2 > (479) 8163 > (479) 6 > (479) 477 $$$$ pyrazolo[1,5-b]pyridazine deriv. 52 csChFnd80/03251016402D 27 30 0 0 0 0 0 0 0 0999 V2000 -0.1562 2.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5582 2.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5582 3.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 2.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1402 2.8438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 3.5112 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 3.2563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1562 3.6688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 2.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 1.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3698 0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3698 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 0.9389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 -0.2987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2264 -0.2987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5705 -0.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6507 0.8502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8406 0.6944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1105 -0.7089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1908 0.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9207 -0.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2727 3.6688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0028 0.3414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8228 1.1465 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7996 0.5549 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1827 -0.4637 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8 7 1 0 0 0 0 8 3 2 0 0 0 0 4 1 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 6 7 1 0 0 0 0 4 7 1 0 0 0 0 9 4 2 0 0 0 0 6 5 2 0 0 0 0 5 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 15 2 0 0 0 0 15 13 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 3 23 1 0 0 0 0 16 17 1 0 0 0 0 19 17 1 0 0 0 0 17 20 2 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 20 22 1 0 0 0 0 22 21 2 0 0 0 0 21 24 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 24 25 1 0 0 0 0 M END > (481) 586 > (481) C18H13F3N6 > (481) 370.3312296 > (481) CDK-2 > (481) 8161 > (481) 199 > (481) 479 $$$$ pyrazolo[1,5-b]pyridazine deriv. 53 csChFnd80/03251016402D 29 32 0 0 0 0 0 0 0 0999 V2000 -0.1562 2.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5582 2.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5582 3.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 2.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1402 2.8438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 3.5112 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 3.2563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1562 3.6688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 2.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 1.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3698 0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3698 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 0.9389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 -0.2987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2264 -0.2987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5705 -0.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6507 0.8502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8406 0.6944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1105 -0.7089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1908 0.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9207 -0.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2727 3.6688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4490 -1.2180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2619 -1.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9302 1.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1437 2.4233 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7174 1.3797 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1429 1.8731 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8 7 1 0 0 0 0 8 3 2 0 0 0 0 4 1 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 6 7 1 0 0 0 0 4 7 1 0 0 0 0 9 4 2 0 0 0 0 6 5 2 0 0 0 0 5 9 1 0 0 0 0 9 10 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 12 15 2 0 0 0 0 15 13 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 3 23 1 0 0 0 0 16 17 1 0 0 0 0 19 17 1 0 0 0 0 17 20 2 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 20 22 1 0 0 0 0 22 21 2 0 0 0 0 22 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 26 28 1 0 0 0 0 26 29 1 0 0 0 0 M END > (483) 588 > (483) C19H15F3N6O > (483) 400.3572096 > (483) CDK-2 > (483) 8162 > (483) 20 > (483) 481 $$$$ pyrazolo[1,5-b]pyridazine deriv. 45 csChFnd80/03251016402D 27 30 0 0 0 0 0 0 0 0999 V2000 -0.1562 2.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5582 2.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5582 3.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 2.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1402 2.8438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 3.5112 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 3.2563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1562 3.6688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 2.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 1.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3698 0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3698 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 0.9389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 -0.2987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2264 -0.2987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4881 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2026 1.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4881 0.9388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2026 -0.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 0.9388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2727 3.6688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0696 3.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6315 1.3513 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6315 2.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3459 0.9388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8 7 1 0 0 0 0 8 3 2 0 0 0 0 4 1 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 6 7 1 0 0 0 0 4 7 1 0 0 0 0 9 4 2 0 0 0 0 6 5 2 0 0 0 0 5 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 15 2 0 0 0 0 15 13 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 19 17 1 0 0 0 0 17 20 2 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 3 23 1 0 0 0 0 23 24 1 0 0 0 0 22 25 1 0 0 0 0 25 27 2 0 0 0 0 25 26 2 0 0 0 0 M END > (486) 591 > (486) C17H13N7O3 > (486) 363.33022 > (486) CDK-2 > (486) 8154 > (486) 20 > (486) 484 $$$$ pyrazolo[1,5-b]pyridazine deriv. 46 csChFnd80/03251016402D 28 31 0 0 0 0 0 0 0 0999 V2000 -0.1562 2.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5582 2.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5582 3.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 2.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1402 2.8438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 3.5112 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 3.2563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1562 3.6688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 2.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 1.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3698 0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3698 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 0.9389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 -0.2987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2264 -0.2987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4881 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2026 1.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4881 0.9388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2026 -0.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 0.9388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2727 3.6688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0696 3.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2026 2.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9171 2.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6315 -0.2987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2148 0.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8 7 1 0 0 0 0 8 3 2 0 0 0 0 4 1 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 6 7 1 0 0 0 0 4 7 1 0 0 0 0 9 4 2 0 0 0 0 6 5 2 0 0 0 0 5 9 1 0 0 0 0 9 10 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 12 15 2 0 0 0 0 15 13 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 19 17 1 0 0 0 0 17 20 2 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 3 23 1 0 0 0 0 23 24 1 0 0 0 0 21 27 1 0 0 0 0 18 25 1 0 0 0 0 25 26 1 0 0 0 0 27 28 1 0 0 0 0 M END > (487) 592 > (487) C19H18N6O3 > (487) 378.38462 > (487) CDK-2 > (487) 8155 > (487) 199 > (487) 485 $$$$ pyrazolo[1,5-b]pyridazine deriv. 47 csChFnd80/03251016402D 30 33 0 0 0 0 0 0 0 0999 V2000 -0.1562 2.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5582 2.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5582 3.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 2.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1402 2.8438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 3.5112 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 3.2563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1562 3.6688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 2.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 1.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3698 0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3698 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 0.9389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 -0.2987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2727 3.6688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0696 3.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2264 -0.2987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5705 -0.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6507 0.8502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8406 0.6944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1105 -0.7089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9207 -0.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1908 0.2266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9208 1.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1344 2.4267 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7096 1.3878 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1321 1.8717 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4607 -1.1767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2857 -1.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8 7 1 0 0 0 0 8 3 2 0 0 0 0 4 1 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 6 7 1 0 0 0 0 4 7 1 0 0 0 0 9 4 2 0 0 0 0 6 5 2 0 0 0 0 5 9 1 0 0 0 0 9 10 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 12 15 2 0 0 0 0 15 13 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 3 16 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 21 19 1 0 0 0 0 19 22 2 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 20 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 23 29 1 0 0 0 0 29 30 1 0 0 0 0 M END > (488) 593 > (488) C19H15F3N6O2 > (488) 416.3566096 > (488) CDK-2 > (488) 8156 > (488) 794 > (488) 486 $$$$ pyrazolo[1,5-b]pyridazine deriv. 50 csChFnd80/03251016402D 28 32 0 0 0 0 0 0 0 0999 V2000 -0.1562 2.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5582 2.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5582 3.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 2.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1402 2.8438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 3.5112 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 3.2563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1562 3.6688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 2.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 1.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3698 0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3698 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 0.9389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 -0.2987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2727 3.6688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2264 -0.2987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5705 -0.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6507 0.8502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8406 0.6944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1105 -0.7089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0696 3.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1908 0.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9207 -0.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2709 -1.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5410 -0.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0009 0.3512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 -1.2079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8 7 1 0 0 0 0 8 3 2 0 0 0 0 4 1 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 6 7 1 0 0 0 0 4 7 1 0 0 0 0 9 4 2 0 0 0 0 6 5 2 0 0 0 0 5 9 1 0 0 0 0 9 10 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 12 15 2 0 0 0 0 15 13 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 3 16 1 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 20 18 1 0 0 0 0 18 21 2 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 21 24 1 0 0 0 0 27 23 1 0 0 0 0 24 23 2 0 0 0 0 24 28 1 0 0 0 0 27 26 1 0 0 0 0 28 25 1 0 0 0 0 25 26 1 0 0 0 0 M END > (491) 596 > (491) C19H16N6O3 > (491) 376.36874 > (491) CDK-2 > (491) 8159 > (491) 100 > (491) 489 $$$$ pyrazolo[1,5-b]pyridazine deriv. 42 csChFnd80/03251016402D 26 29 0 0 0 0 0 0 0 0999 V2000 -0.1562 2.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5582 2.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5582 3.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 2.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1402 2.8438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 3.5112 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 3.2563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1562 3.6688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 2.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 1.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3698 0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3698 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 0.9389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 -0.2987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2264 -0.2987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4881 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2026 1.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4881 0.9388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2026 -0.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 0.9388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2727 3.6688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0696 3.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6315 -0.2987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3459 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8 7 1 0 0 0 0 8 3 2 0 0 0 0 4 1 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 6 7 1 0 0 0 0 4 7 1 0 0 0 0 9 4 2 0 0 0 0 6 5 2 0 0 0 0 5 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 15 2 0 0 0 0 15 13 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 19 17 1 0 0 0 0 17 20 2 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 3 23 1 0 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 M END > (499) 604 > (499) C18H16N6O2 > (499) 348.35864 > (499) CDK-2 > (499) 8151 > (499) 63 > (499) 497 $$$$ pyrazolo[1,5-b]pyridazine deriv. 43 csChFnd80/03251016402D 29 32 0 0 0 0 0 0 0 0999 V2000 -0.1562 2.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5582 2.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5582 3.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 2.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1402 2.8438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 3.5112 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 3.2563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1562 3.6688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 2.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 1.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3698 0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3698 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 0.9389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 -0.2987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2264 -0.2987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4881 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2026 1.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4881 0.9388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2026 -0.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 0.9388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2727 3.6688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0696 3.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6315 -0.2987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3459 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9334 0.8283 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0604 0.5263 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7584 -0.6007 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8 7 1 0 0 0 0 8 3 2 0 0 0 0 4 1 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 6 7 1 0 0 0 0 4 7 1 0 0 0 0 9 4 2 0 0 0 0 6 5 2 0 0 0 0 5 9 1 0 0 0 0 9 10 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 12 15 2 0 0 0 0 15 13 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 19 17 1 0 0 0 0 17 20 2 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 3 23 1 0 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 26 28 1 0 0 0 0 26 27 1 0 0 0 0 26 29 1 0 0 0 0 M END > (500) 605 > (500) C18H13F3N6O2 > (500) 402.3300296 > (500) CDK-2 > (500) 8152 > (500) 199 > (500) 498 $$$$ pyrazolo[1,5-b]pyridazine deriv. 44 csChFnd80/03251016402D 26 29 0 0 0 0 0 0 0 0999 V2000 -0.1562 2.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5582 2.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5582 3.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 2.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1402 2.8438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 3.5112 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 3.2563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1562 3.6688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 2.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 1.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3698 0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3698 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 0.9389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 -0.2987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2264 -0.2987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4881 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2026 1.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4881 0.9388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2026 -0.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 0.9388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2727 3.6688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0696 3.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6315 1.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3460 1.7638 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8 7 1 0 0 0 0 8 3 2 0 0 0 0 4 1 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 6 7 1 0 0 0 0 4 7 1 0 0 0 0 9 4 2 0 0 0 0 6 5 2 0 0 0 0 5 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 15 2 0 0 0 0 15 13 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 19 17 1 0 0 0 0 17 20 2 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 3 23 1 0 0 0 0 23 24 1 0 0 0 0 22 25 1 0 0 0 0 25 26 3 0 0 0 0 M END > (502) 607 > (502) C18H13N7O > (502) 343.34212 > (502) CDK-2 > (502) 8153 > (502) 501 > (502) 500 $$$$ pyrazolo[1,5-b]pyridazine deriv. 38 csChFnd80/03251016402D 27 30 0 0 0 0 0 0 0 0999 V2000 -0.1562 2.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5582 2.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5582 3.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 2.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1402 2.8438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 3.5112 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 3.2563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1562 3.6688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 2.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 1.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3698 0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3698 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 0.9389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 -0.2987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2264 -0.2987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4881 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2026 1.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4881 0.9388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2026 -0.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 0.9388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2727 3.6688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6315 -0.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0440 0.4158 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3460 -0.7112 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2190 -1.0132 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8 7 1 0 0 0 0 8 3 2 0 0 0 0 4 1 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 6 7 1 0 0 0 0 4 7 1 0 0 0 0 9 4 2 0 0 0 0 6 5 2 0 0 0 0 5 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 15 2 0 0 0 0 15 13 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 19 17 1 0 0 0 0 17 20 2 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 3 23 1 0 0 0 0 24 26 1 0 0 0 0 24 25 1 0 0 0 0 24 27 1 0 0 0 0 M END > (510) 615 > (510) C17H11F3N6O > (510) 372.3040496 > (510) CDK-2 > (510) 8147 > (510) 8 > (510) 508 $$$$ pyrazolo[1,5-b]pyridazine deriv. 39 csChFnd80/03251016402D 28 31 0 0 0 0 0 0 0 0999 V2000 -0.1562 2.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5582 2.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5582 3.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 2.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1402 2.8438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 3.5112 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 3.2563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1562 3.6688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 2.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 1.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3698 0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3698 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 0.9389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 -0.2987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2264 -0.2987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4881 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2026 1.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4881 0.9388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2026 -0.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 0.9388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6315 -0.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0440 0.4158 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3460 -0.7112 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2190 -1.0132 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2727 3.6688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0696 3.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8 7 1 0 0 0 0 8 3 2 0 0 0 0 4 1 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 6 7 1 0 0 0 0 4 7 1 0 0 0 0 9 4 2 0 0 0 0 6 5 2 0 0 0 0 5 9 1 0 0 0 0 9 10 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 12 15 2 0 0 0 0 15 13 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 19 17 1 0 0 0 0 17 20 2 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 3 27 1 0 0 0 0 23 25 1 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 27 28 1 0 0 0 0 M END > (511) 616 > (511) C18H13F3N6O > (511) 386.3306296 > (511) CDK-2 > (511) 8148 > (511) 160 > (511) 509 $$$$ pyrazolo[1,5-b]pyridazine deriv. 32 csChFnd80/03251016402D 26 29 0 0 0 0 0 0 0 0999 V2000 -0.1562 2.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5582 2.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5582 3.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 2.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1402 2.8438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 3.5112 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 3.2563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1562 3.6688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 2.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 1.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3698 0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3698 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 0.9389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 -0.2987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2264 -0.2987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4881 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2025 1.3514 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4881 0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2025 -0.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2025 2.1764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9169 2.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6315 -0.2987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3459 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8 7 1 0 0 0 0 8 3 2 0 0 0 0 4 1 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 6 7 1 0 0 0 0 4 7 1 0 0 0 0 9 4 2 0 0 0 0 6 5 2 0 0 0 0 5 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 15 2 0 0 0 0 15 13 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 19 17 1 0 0 0 0 17 20 2 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 18 23 1 0 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 M END > (516) 621 > (516) C18H18N6O2 > (516) 350.37452 > (516) CDK-2 > (516) 8141 > (516) 15 > (516) 514 $$$$ pyrazolo[1,5-b]pyridazine deriv. 28 csChFnd80/03251016402D 24 27 0 0 0 0 0 0 0 0999 V2000 -0.1562 2.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5582 2.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5582 3.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 2.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1402 2.8438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 3.5112 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 3.2563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1562 3.6688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 2.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 1.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3698 0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3698 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 0.9389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 -0.2987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2264 -0.2987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4881 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2025 1.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4881 0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2025 -0.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6315 1.3514 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6315 -0.2987 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8 7 1 0 0 0 0 8 3 2 0 0 0 0 4 1 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 6 7 1 0 0 0 0 4 7 1 0 0 0 0 9 4 2 0 0 0 0 6 5 2 0 0 0 0 5 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 15 2 0 0 0 0 15 13 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 19 17 1 0 0 0 0 17 20 2 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 20 22 1 0 0 0 0 22 21 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 M END > (524) 629 > (524) C16H10F2N6 > (524) 324.2876064 > (524) CDK-2 > (524) 8137 > (524) 2 > (524) 522 $$$$ pyrazolo[1,5-b]pyridazine deriv. 30 csChFnd80/03251016402D 24 27 0 0 0 0 0 0 0 0999 V2000 -0.1562 2.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5582 2.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5582 3.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 2.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1402 2.8438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 3.5112 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 3.2563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1562 3.6688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 2.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 1.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3698 0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3698 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 0.9389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 -0.2987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2264 -0.2987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4881 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2025 1.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4881 0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2025 -0.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6315 1.3514 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.6315 -0.2987 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8 7 1 0 0 0 0 8 3 2 0 0 0 0 4 1 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 6 7 1 0 0 0 0 4 7 1 0 0 0 0 9 4 2 0 0 0 0 6 5 2 0 0 0 0 5 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 15 2 0 0 0 0 15 13 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 19 17 1 0 0 0 0 17 20 2 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 21 24 1 0 0 0 0 M END > (526) 631 > (526) C16H10Cl2N6 > (526) 357.1968 > (526) CDK-2 > (526) 8139 > (526) 1 > (526) 524 $$$$ pyrazolo[1,5-b]pyridazine deriv. 23 csChFnd80/03251016402D 26 29 0 0 0 0 0 0 0 0999 V2000 -0.1562 2.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5582 2.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5582 3.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 2.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1402 2.8438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 3.5112 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 3.2563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1562 3.6688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 2.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 1.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3698 0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3698 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 0.9389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 -0.2987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2264 -0.2987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4881 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2025 1.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4881 0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2025 -0.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6315 1.3514 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3459 0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6315 2.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3460 2.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8 7 1 0 0 0 0 8 3 2 0 0 0 0 4 1 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 6 7 1 0 0 0 0 4 7 1 0 0 0 0 9 4 2 0 0 0 0 6 5 2 0 0 0 0 5 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 15 2 0 0 0 0 15 13 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 19 17 1 0 0 0 0 17 20 2 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 M END > (527) 632 > (527) C20H20N6 > (527) 344.413 > (527) CDK-2 > (527) 8132 > (527) 158 > (527) 525 $$$$ pyrazolo[1,5-b]pyridazine deriv. 24 csChFnd80/03251016402D 26 29 0 0 0 0 0 0 0 0999 V2000 -0.1562 2.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5582 2.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5582 3.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 2.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1402 2.8438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 3.5112 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 3.2563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1562 3.6688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 2.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 1.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3698 0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3698 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 0.9389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 -0.2987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2264 -0.2987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4881 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2025 1.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4881 0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2025 -0.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6315 1.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3460 0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6315 2.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3460 1.7639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8 7 1 0 0 0 0 8 3 2 0 0 0 0 4 1 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 6 7 1 0 0 0 0 4 7 1 0 0 0 0 9 4 2 0 0 0 0 6 5 2 0 0 0 0 5 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 15 2 0 0 0 0 15 13 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 19 17 1 0 0 0 0 17 20 2 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 M END > (530) 635 > (530) C20H20N6 > (530) 344.413 > (530) CDK-2 > (530) 8133 > (530) 158 > (530) 528 $$$$ pyrazolo[1,5-b]pyridazine deriv. 25 csChFnd80/03251016402D 26 29 0 0 0 0 0 0 0 0999 V2000 -0.1562 2.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5582 2.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5582 3.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 2.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1402 2.8438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 3.5112 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 3.2563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1562 3.6688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 2.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 1.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3698 0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3698 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 0.9389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 -0.2987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2264 -0.2987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4881 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2025 1.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4881 0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2025 -0.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6315 -0.2987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3459 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6315 1.3514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2148 0.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8 7 1 0 0 0 0 8 3 2 0 0 0 0 4 1 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 6 7 1 0 0 0 0 4 7 1 0 0 0 0 9 4 2 0 0 0 0 6 5 2 0 0 0 0 5 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 15 2 0 0 0 0 15 13 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 19 17 1 0 0 0 0 17 20 2 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 M END > (532) 637 > (532) C18H16N6O2 > (532) 348.35864 > (532) CDK-2 > (532) 8134 > (532) 50 > (532) 530 $$$$ pyrazolo[1,5-b]pyridazine deriv. 22 csChFnd80/03251016402D 25 28 0 0 0 0 0 0 0 0999 V2000 -0.1562 2.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5582 2.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5582 3.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 2.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1402 2.8438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 3.5112 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 3.2563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1562 3.6688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 2.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 1.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3698 0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3698 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 0.9389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 -0.2987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2264 -0.2987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4881 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2025 1.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4881 0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2025 -0.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6315 1.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3459 0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6315 2.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8 7 1 0 0 0 0 8 3 2 0 0 0 0 4 1 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 6 7 1 0 0 0 0 4 7 1 0 0 0 0 9 4 2 0 0 0 0 6 5 2 0 0 0 0 5 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 15 2 0 0 0 0 15 13 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 19 17 1 0 0 0 0 17 20 2 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 M END > (538) 643 > (538) C19H18N6 > (538) 330.38642 > (538) CDK-2 > (538) 8131 > (538) 16 > (538) 536 $$$$ Structure8 csChFnd80/03251016402D 15 17 0 0 0 0 0 0 0 0999 V2000 2.1001 2.4267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7001 2.4267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 1.2133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1001 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7001 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5388 3.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 4.5639 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2709 3.7425 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8546 4.1811 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1439 5.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1174 6.4866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4785 5.9825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4120 7.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8506 5.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 4 2 0 0 0 0 6 5 1 0 0 0 0 7 1 1 0 0 0 0 2 1 2 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 13 1 0 0 0 0 M END > (8) 8 > (8) C11H11N3O > (8) 201.22454 > (8) CDK-2 > (8) 69 > (8) 17707953 > (8) 5 > (8) 2008 > (8) 6 $$$$ triazolo[1,5-a]pyrimidine 6 csChFnd80/03251016402D 27 30 0 0 0 0 0 0 0 0999 V2000 -1.0625 2.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7770 2.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7770 1.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0625 1.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 1.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 2.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4914 1.1437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4914 0.3187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2049 -0.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2029 -0.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7740 -0.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5055 -0.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4875 -1.3313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7760 -0.0920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9920 0.1648 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9888 -1.1700 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3664 3.6188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3664 2.7938 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1633 3.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7789 2.0793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9164 -1.3347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6309 -0.9222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3454 0.3153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0598 -0.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0598 -0.9222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3454 -1.3347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6309 -0.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 18 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 10 13 2 0 0 0 0 13 11 1 0 0 0 0 15 14 1 0 0 0 0 15 12 2 0 0 0 0 11 16 2 0 0 0 0 16 12 1 0 0 0 0 11 14 1 0 0 0 0 10 21 1 0 0 0 0 18 17 1 0 0 0 0 18 20 2 0 0 0 0 18 19 2 0 0 0 0 21 22 1 0 0 0 0 26 22 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 M END > (812) 940 > (812) C17H20N6O3S > (812) 388.4441 > (812) CDK-2 > (812) 11448 > (812) 350 > (812) 810 $$$$