Wcorina 06010715083D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 43 45 0 0 0 0 0 0 0 0999 V2000 -0.0464 1.3814 0.0466 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0357 0.0014 0.0493 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 -0.6836 0.0406 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3632 0.0094 0.0293 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3647 1.3895 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1568 2.0850 0.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1518 3.5679 0.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0958 5.6664 0.6808 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1419 4.2830 0.7131 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2082 4.2391 -0.6244 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2019 5.5627 -0.6293 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1240 6.2661 0.0114 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3984 3.4556 1.5792 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7950 6.2303 -1.3231 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8889 7.6230 -1.2444 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1711 -2.1905 0.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0326 -2.6858 -0.6370 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4158 -2.6981 -0.6866 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1850 -2.6972 1.4877 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3966 9.7316 -2.2684 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3043 8.3561 -2.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5728 8.2759 -0.0603 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6672 9.6528 0.0141 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0762 10.3799 -1.0896 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2377 10.5434 1.6260 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.9853 1.9152 0.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9674 -0.5448 0.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2985 -0.5306 0.0226 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2999 1.9295 0.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8447 6.2497 1.1958 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4275 5.7313 -1.8632 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0213 -3.6925 -0.7048 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8688 -2.3640 -0.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3089 -2.3306 -0.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4195 -3.7881 -0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4059 -2.3371 -1.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2983 -2.3356 2.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1887 -3.7872 1.4903 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0781 -2.3297 1.9931 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7191 10.3017 -3.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5544 7.8508 -3.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2538 7.7084 0.8015 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1493 11.4558 -1.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 9 7 1 0 0 0 0 7 10 2 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 9 13 1 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 3 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 21 15 1 0 0 0 0 15 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 23 25 1 0 0 0 0 1 26 1 0 0 0 0 2 27 1 0 0 0 0 4 28 1 0 0 0 0 5 29 1 0 0 0 0 8 30 1 0 0 0 0 14 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 24 43 1 0 0 0 0 M END > (1) 1 > (1) C19H18BrClN4 > (1) 417.73002 > (1) CDK1 > (1) 6a > (1) PMID:17317182 > (1) 1.04 > (1) 2007 $$$$ Wcorina 06010715083D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 66 69 0 0 0 0 0 0 0 0999 V2000 -1.8481 1.3270 -2.2244 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7857 -0.0516 -2.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7877 -0.7983 -1.6462 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8574 -0.1689 -1.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9305 1.2091 -1.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9235 1.9667 -1.6104 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9959 3.4477 -1.5908 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2469 5.4839 -1.6614 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2296 4.0996 -1.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8883 4.1771 -1.4786 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9505 5.4992 -1.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1045 6.1437 -1.5526 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7044 3.1947 -1.8252 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7778 6.2284 -1.3430 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8084 7.6225 -1.4435 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7141 -2.3034 -1.6662 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3069 -2.7247 -1.6759 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4058 -2.8644 -0.4221 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4133 -2.8317 -2.9203 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0309 9.7717 -0.7797 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0605 8.3942 -0.6811 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7023 8.2369 -2.3086 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7295 9.6214 -2.4053 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8619 10.3872 -1.6359 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6278 10.2442 -3.2755 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9612 9.6358 -4.4882 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4990 9.3236 -6.3018 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1725 9.9267 -5.1031 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0797 8.7430 -5.0848 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4125 8.1434 -6.2835 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6216 8.4309 -6.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9815 7.7743 -8.1978 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4795 8.6375 -9.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8303 7.9975 -10.6319 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3629 8.8000 -11.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0629 1.9091 -2.6839 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9531 -0.5483 -2.7151 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6369 -0.7570 -0.5739 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7665 1.6994 -0.5382 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1822 6.0194 -1.7311 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0642 5.7715 -1.1908 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8444 -2.4211 -2.5197 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8229 -2.3880 -0.8571 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4500 -2.5518 -0.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3526 -3.9530 -0.4365 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9077 -2.4881 0.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9205 -2.4320 -3.8066 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3601 -3.9203 -2.9348 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4575 -2.5190 -2.9131 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 10.3690 -0.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7593 7.9163 -0.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3752 7.6393 -2.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8827 11.4644 -1.7104 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0199 11.0989 -3.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4406 9.5490 -6.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8583 10.6234 -4.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1352 8.5183 -4.6118 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7276 7.4495 -6.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5168 6.7898 -8.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0643 7.6690 -8.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9442 9.6221 -9.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3967 8.7428 -9.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4648 7.0581 -10.6775 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6357 8.3034 -12.7012 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8269 9.7857 -11.7345 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2793 8.9065 -11.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 36 1 0 0 0 0 2 3 2 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 3 16 1 0 0 0 0 4 5 2 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 8 40 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 21 1 0 0 0 0 15 22 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 20 50 1 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 25 54 1 0 0 0 0 26 28 1 0 0 0 0 26 29 2 0 0 0 0 27 28 2 0 0 0 0 27 31 1 0 0 0 0 27 55 1 0 0 0 0 28 56 1 0 0 0 0 29 30 1 0 0 0 0 29 57 1 0 0 0 0 30 31 2 0 0 0 0 30 58 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 33 34 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 34 35 1 0 0 0 0 34 63 1 0 0 0 0 35 64 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 M END > (11) 11 > (11) C28H31ClN6 > (11) 487.03894 > (11) CDK1 > (11) 7a > (11) PMID:17317182 > (11) 1.06 > (11) 2007 $$$$ Wcorina 06010715083D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 69 72 0 0 0 0 0 0 0 0999 V2000 -1.8481 1.3270 -2.2244 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7857 -0.0516 -2.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7877 -0.7983 -1.6462 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8574 -0.1689 -1.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9305 1.2091 -1.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9235 1.9667 -1.6104 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9959 3.4477 -1.5908 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2469 5.4839 -1.6614 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2296 4.0996 -1.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8883 4.1771 -1.4786 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9505 5.4992 -1.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1045 6.1437 -1.5526 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7044 3.1947 -1.8252 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7778 6.2284 -1.3430 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8084 7.6225 -1.4435 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7141 -2.3034 -1.6662 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3069 -2.7247 -1.6759 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4058 -2.8644 -0.4221 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4133 -2.8317 -2.9203 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0309 9.7717 -0.7797 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0605 8.3942 -0.6811 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7023 8.2369 -2.3086 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7295 9.6214 -2.4053 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8619 10.3872 -1.6359 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6278 10.2442 -3.2755 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9612 9.6358 -4.4882 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4990 9.3236 -6.3018 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1725 9.9267 -5.1031 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0797 8.7430 -5.0848 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4125 8.1434 -6.2835 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6216 8.4309 -6.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9815 7.7743 -8.1978 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4795 8.6375 -9.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8303 7.9975 -10.6319 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2865 7.9683 -10.8231 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1648 8.6667 -11.7576 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0629 1.9091 -2.6839 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9531 -0.5483 -2.7151 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6369 -0.7570 -0.5739 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7665 1.6994 -0.5382 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1822 6.0194 -1.7311 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0642 5.7715 -1.1908 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8072 -2.3347 -0.8909 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2307 -3.7308 -1.6893 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4500 -2.5518 -0.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3526 -3.9530 -0.4365 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9077 -2.4881 0.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9205 -2.4320 -3.8066 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3601 -3.9203 -2.9348 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4575 -2.5190 -2.9131 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 10.3690 -0.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7593 7.9163 -0.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3752 7.6393 -2.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8827 11.4644 -1.7104 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0199 11.0989 -3.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4406 9.5490 -6.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8583 10.6234 -4.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1352 8.5183 -4.6118 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7276 7.4495 -6.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5168 6.7898 -8.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0643 7.6690 -8.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9442 9.6221 -9.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3967 8.7428 -9.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6731 8.9874 -10.8256 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5185 7.4893 -11.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7484 7.4064 -10.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0843 8.6127 -11.6251 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4418 8.1729 -12.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4746 9.7111 -11.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 37 1 0 0 0 0 2 3 2 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 16 1 0 0 0 0 4 5 2 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 8 41 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 15 21 1 0 0 0 0 15 22 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 20 51 1 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 25 55 1 0 0 0 0 26 28 1 0 0 0 0 26 29 2 0 0 0 0 27 28 2 0 0 0 0 27 31 1 0 0 0 0 27 56 1 0 0 0 0 28 57 1 0 0 0 0 29 30 1 0 0 0 0 29 58 1 0 0 0 0 30 31 2 0 0 0 0 30 59 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 33 34 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 35 64 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 36 67 1 0 0 0 0 36 68 1 0 0 0 0 36 69 1 0 0 0 0 M END > (12) 12 > (12) C29H33ClN6 > (12) 501.06552 > (12) CDK1 > (12) 7b > (12) PMID:17317182 > (12) 1.14 > (12) 2007 $$$$ Wcorina 06010715083D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 73 77 0 0 0 0 0 0 0 0999 V2000 -1.8481 1.3270 -2.2244 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7857 -0.0516 -2.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7877 -0.7983 -1.6462 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8574 -0.1689 -1.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9305 1.2091 -1.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9235 1.9667 -1.6104 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9959 3.4477 -1.5908 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2469 5.4839 -1.6614 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2296 4.0996 -1.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8883 4.1771 -1.4786 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9505 5.4992 -1.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1045 6.1437 -1.5526 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7044 3.1947 -1.8252 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7778 6.2284 -1.3430 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8084 7.6225 -1.4435 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7141 -2.3034 -1.6662 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3069 -2.7247 -1.6759 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4058 -2.8644 -0.4221 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4133 -2.8317 -2.9203 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0309 9.7717 -0.7797 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0605 8.3942 -0.6811 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7023 8.2369 -2.3086 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7295 9.6214 -2.4053 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8619 10.3872 -1.6359 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6278 10.2442 -3.2755 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9612 9.6358 -4.4882 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4990 9.3236 -6.3018 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1725 9.9267 -5.1031 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0797 8.7430 -5.0848 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4125 8.1434 -6.2835 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6216 8.4309 -6.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9815 7.7743 -8.1978 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4795 8.6375 -9.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8303 7.9975 -10.6319 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6118 8.1800 -12.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5780 8.9053 -11.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0477 6.7599 -10.8365 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8187 6.6851 -12.3667 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0629 1.9091 -2.6839 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9531 -0.5483 -2.7151 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6369 -0.7570 -0.5739 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7665 1.6994 -0.5382 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1822 6.0194 -1.7311 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0642 5.7715 -1.1908 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8444 -2.4211 -2.5197 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8229 -2.3880 -0.8571 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4500 -2.5518 -0.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3526 -3.9530 -0.4365 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9077 -2.4881 0.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9205 -2.4320 -3.8066 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3601 -3.9203 -2.9348 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4575 -2.5190 -2.9131 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 10.3690 -0.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7593 7.9163 -0.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3752 7.6393 -2.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8827 11.4644 -1.7104 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0199 11.0989 -3.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4406 9.5490 -6.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8583 10.6234 -4.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1352 8.5183 -4.6118 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7276 7.4495 -6.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5168 6.7898 -8.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0643 7.6690 -8.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9442 9.6221 -9.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3967 8.7428 -9.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8862 8.3685 -13.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5818 8.4827 -12.5376 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5139 9.1267 -12.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1217 9.8281 -11.4078 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0939 6.8232 -10.3126 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6127 5.8928 -10.4944 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6945 6.2793 -12.8732 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9288 6.1006 -12.6002 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 39 1 0 0 0 0 2 3 2 0 0 0 0 2 40 1 0 0 0 0 3 4 1 0 0 0 0 3 16 1 0 0 0 0 4 5 2 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 42 1 0 0 0 0 6 7 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 8 43 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 44 1 0 0 0 0 15 21 1 0 0 0 0 15 22 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 20 53 1 0 0 0 0 21 54 1 0 0 0 0 22 23 1 0 0 0 0 22 55 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 56 1 0 0 0 0 25 26 1 0 0 0 0 25 57 1 0 0 0 0 26 28 1 0 0 0 0 26 29 2 0 0 0 0 27 28 2 0 0 0 0 27 31 1 0 0 0 0 27 58 1 0 0 0 0 28 59 1 0 0 0 0 29 30 1 0 0 0 0 29 60 1 0 0 0 0 30 31 2 0 0 0 0 30 61 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 33 34 1 0 0 0 0 33 64 1 0 0 0 0 33 65 1 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 35 36 1 0 0 0 0 35 38 1 0 0 0 0 35 66 1 0 0 0 0 35 67 1 0 0 0 0 36 68 1 0 0 0 0 36 69 1 0 0 0 0 37 38 1 0 0 0 0 37 70 1 0 0 0 0 37 71 1 0 0 0 0 38 72 1 0 0 0 0 38 73 1 0 0 0 0 M END > (13) 13 > (13) C31H35ClN6 > (13) 527.1028 > (13) CDK1 > (13) 7c > (13) PMID:17317182 > (13) 0.808 > (13) 2007 $$$$ Wcorina 06010715083D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 74 78 0 0 0 0 0 0 0 0999 V2000 -1.8481 1.3270 -2.2244 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7857 -0.0516 -2.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7877 -0.7983 -1.6462 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8574 -0.1689 -1.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9305 1.2091 -1.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9235 1.9667 -1.6104 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9959 3.4477 -1.5908 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2469 5.4839 -1.6614 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2296 4.0996 -1.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8883 4.1771 -1.4786 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9505 5.4992 -1.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1045 6.1437 -1.5526 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7044 3.1947 -1.8252 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7778 6.2284 -1.3430 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8084 7.6225 -1.4435 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7141 -2.3034 -1.6662 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3069 -2.7247 -1.6759 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4058 -2.8644 -0.4221 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4133 -2.8317 -2.9203 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0309 9.7717 -0.7797 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0605 8.3942 -0.6811 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7023 8.2369 -2.3086 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7295 9.6214 -2.4053 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8619 10.3872 -1.6359 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6278 10.2442 -3.2755 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9612 9.6358 -4.4882 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4990 9.3236 -6.3018 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1725 9.9267 -5.1031 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0797 8.7430 -5.0848 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4125 8.1434 -6.2835 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6216 8.4309 -6.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9815 7.7743 -8.1978 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4795 8.6375 -9.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8303 7.9975 -10.6319 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5090 7.9336 -13.0573 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1643 8.6672 -11.7585 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2873 7.9750 -10.8267 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6106 7.2483 -12.1349 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9300 7.8943 -13.2141 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0629 1.9091 -2.6839 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9531 -0.5483 -2.7151 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6369 -0.7570 -0.5739 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7665 1.6994 -0.5382 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1822 6.0194 -1.7311 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0642 5.7715 -1.1908 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2299 -3.7295 -1.6244 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8278 -2.3666 -2.4885 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4500 -2.5518 -0.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3526 -3.9530 -0.4365 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9077 -2.4881 0.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9205 -2.4320 -3.8066 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3601 -3.9203 -2.9348 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4575 -2.5190 -2.9131 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 10.3690 -0.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7593 7.9163 -0.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3752 7.6393 -2.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8827 11.4644 -1.7104 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0199 11.0989 -3.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4406 9.5490 -6.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8583 10.6234 -4.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1352 8.5183 -4.6118 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7276 7.4495 -6.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5168 6.7898 -8.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0643 7.6690 -8.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9442 9.6221 -9.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3967 8.7428 -9.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0640 8.4600 -13.9017 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1192 6.9165 -13.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5069 9.7001 -11.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0852 8.6498 -11.6059 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7578 7.4523 -9.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6638 8.9968 -10.8753 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2820 6.2113 -12.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6857 7.2791 -12.3122 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 40 1 0 0 0 0 2 3 2 0 0 0 0 2 41 1 0 0 0 0 3 4 1 0 0 0 0 3 16 1 0 0 0 0 4 5 2 0 0 0 0 4 42 1 0 0 0 0 5 6 1 0 0 0 0 5 43 1 0 0 0 0 6 7 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 8 44 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 15 21 1 0 0 0 0 15 22 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 20 54 1 0 0 0 0 21 55 1 0 0 0 0 22 23 1 0 0 0 0 22 56 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 57 1 0 0 0 0 25 26 1 0 0 0 0 25 58 1 0 0 0 0 26 28 1 0 0 0 0 26 29 2 0 0 0 0 27 28 2 0 0 0 0 27 31 1 0 0 0 0 27 59 1 0 0 0 0 28 60 1 0 0 0 0 29 30 1 0 0 0 0 29 61 1 0 0 0 0 30 31 2 0 0 0 0 30 62 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 63 1 0 0 0 0 32 64 1 0 0 0 0 33 34 1 0 0 0 0 33 65 1 0 0 0 0 33 66 1 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 35 36 1 0 0 0 0 35 39 1 0 0 0 0 35 67 1 0 0 0 0 35 68 1 0 0 0 0 36 69 1 0 0 0 0 36 70 1 0 0 0 0 37 38 1 0 0 0 0 37 71 1 0 0 0 0 37 72 1 0 0 0 0 38 39 1 0 0 0 0 38 73 1 0 0 0 0 38 74 1 0 0 0 0 M END > (14) 14 > (14) C31H35ClN6O > (14) 543.1022 > (14) CDK1 > (14) 7d > (14) PMID:17317182 > (14) 2.77 > (14) 2007 $$$$ Wcorina 06010715083D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 78 82 0 0 0 0 0 0 0 0999 V2000 -1.8481 1.3270 -2.2244 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7857 -0.0516 -2.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7877 -0.7983 -1.6462 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8574 -0.1689 -1.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9305 1.2091 -1.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9235 1.9667 -1.6104 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9959 3.4477 -1.5908 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2469 5.4839 -1.6614 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2296 4.0996 -1.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8883 4.1771 -1.4786 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9505 5.4992 -1.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1045 6.1437 -1.5526 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7044 3.1947 -1.8252 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7778 6.2284 -1.3430 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8084 7.6225 -1.4435 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7141 -2.3034 -1.6662 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3069 -2.7247 -1.6759 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4058 -2.8644 -0.4221 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4133 -2.8317 -2.9203 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0309 9.7717 -0.7797 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0605 8.3942 -0.6811 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7023 8.2369 -2.3086 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7295 9.6214 -2.4053 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8619 10.3872 -1.6359 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6278 10.2442 -3.2755 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9612 9.6358 -4.4882 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4990 9.3236 -6.3018 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1725 9.9267 -5.1031 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0797 8.7430 -5.0848 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4125 8.1434 -6.2835 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6216 8.4309 -6.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9815 7.7743 -8.1978 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4795 8.6375 -9.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8303 7.9975 -10.6319 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4915 7.9237 -13.0554 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1646 8.6670 -11.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2869 7.9715 -10.8249 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6138 7.2282 -12.1222 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9481 7.8977 -13.2484 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2989 7.2577 -14.5232 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0629 1.9091 -2.6839 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9531 -0.5483 -2.7151 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6369 -0.7570 -0.5739 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7665 1.6994 -0.5382 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1822 6.0194 -1.7311 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0642 5.7715 -1.1908 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8278 -2.3666 -2.4885 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8393 -2.4433 -0.8272 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4500 -2.5518 -0.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3526 -3.9530 -0.4365 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9077 -2.4881 0.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9205 -2.4320 -3.8066 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3601 -3.9203 -2.9348 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4575 -2.5190 -2.9131 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 10.3690 -0.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7593 7.9163 -0.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3752 7.6393 -2.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8827 11.4644 -1.7104 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0199 11.0989 -3.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4406 9.5490 -6.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8583 10.6234 -4.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1352 8.5183 -4.6118 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7276 7.4495 -6.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5168 6.7898 -8.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0643 7.6690 -8.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9442 9.6221 -9.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3967 8.7428 -9.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0224 8.4353 -13.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1145 6.9028 -12.9945 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5175 9.6958 -11.8296 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0864 8.6623 -11.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7560 7.4599 -9.9845 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6639 8.9924 -10.8858 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2609 6.1994 -12.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6920 7.2329 -12.2822 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9272 6.2330 -14.5298 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3825 7.2518 -14.6407 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8473 7.8133 -15.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 41 1 0 0 0 0 2 3 2 0 0 0 0 2 42 1 0 0 0 0 3 4 1 0 0 0 0 3 16 1 0 0 0 0 4 5 2 0 0 0 0 4 43 1 0 0 0 0 5 6 1 0 0 0 0 5 44 1 0 0 0 0 6 7 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 8 45 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 46 1 0 0 0 0 15 21 1 0 0 0 0 15 22 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 20 55 1 0 0 0 0 21 56 1 0 0 0 0 22 23 1 0 0 0 0 22 57 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 58 1 0 0 0 0 25 26 1 0 0 0 0 25 59 1 0 0 0 0 26 28 1 0 0 0 0 26 29 2 0 0 0 0 27 28 2 0 0 0 0 27 31 1 0 0 0 0 27 60 1 0 0 0 0 28 61 1 0 0 0 0 29 30 1 0 0 0 0 29 62 1 0 0 0 0 30 31 2 0 0 0 0 30 63 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 33 34 1 0 0 0 0 33 66 1 0 0 0 0 33 67 1 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 35 36 1 0 0 0 0 35 39 1 0 0 0 0 35 68 1 0 0 0 0 35 69 1 0 0 0 0 36 70 1 0 0 0 0 36 71 1 0 0 0 0 37 38 1 0 0 0 0 37 72 1 0 0 0 0 37 73 1 0 0 0 0 38 39 1 0 0 0 0 38 74 1 0 0 0 0 38 75 1 0 0 0 0 39 40 1 0 0 0 0 40 76 1 0 0 0 0 40 77 1 0 0 0 0 40 78 1 0 0 0 0 M END > (15) 15 > (15) C32H38ClN7 > (15) 556.14402 > (15) CDK1 > (15) 7e > (15) PMID:17317182 > (15) 0.076 > (15) 2007 $$$$ Wcorina 06010715083D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 43 45 0 0 0 0 0 0 0 0999 V2000 0.4651 1.3839 1.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4819 0.0011 1.7456 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5523 -0.6506 1.1179 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5109 0.0832 0.5506 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4529 1.4048 0.5795 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4524 2.0462 1.1660 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4652 2.1377 -0.0195 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3647 3.5296 -0.1037 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4016 5.6919 -0.0852 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5043 4.3172 -0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1259 4.1277 -0.2956 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0302 5.5029 -0.3787 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1660 6.2844 -0.2711 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0578 7.7847 -0.3628 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2005 8.2180 -1.8232 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0950 9.6805 -1.9125 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7918 -0.9058 2.4999 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.2283 10.3320 -1.2423 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9894 10.1162 -3.3114 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6180 -2.1241 1.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0622 -3.1939 2.3664 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5408 -4.6073 1.4358 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0678 -4.2225 0.2681 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1086 -2.8604 0.0664 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3469 1.9182 2.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2435 1.6849 -0.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2872 6.3048 -0.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4695 3.8551 0.1443 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2385 3.5179 -0.3801 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0672 5.9685 -0.5283 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0871 8.1029 0.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8486 8.2429 0.2311 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1712 7.8998 -2.2034 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4097 7.7597 -2.4171 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1590 10.0191 -1.7157 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1253 11.4140 -1.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2416 10.0461 -0.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1021 9.6735 -3.7639 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9126 11.2028 -3.3487 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8753 9.7955 -3.8597 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -5.6316 1.7585 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4307 -4.9280 -0.4647 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5050 -2.4165 -0.8348 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 12 13 2 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 24 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 M END > (16) 16 > (16) C18H19ClN4S > (16) 358.88826 > (16) CDK1 > (16) 9a > (16) PMID:17317182 > (16) 0.461 > (16) 2007 $$$$ Wcorina 06010715083D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 0.4648 1.3839 1.7499 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4816 0.0010 1.7454 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5517 -0.6506 1.1178 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5102 0.0830 0.5506 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4525 1.4046 0.5795 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4521 2.0461 1.1660 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4652 2.1373 -0.0191 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3650 3.5293 -0.1032 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4022 5.6913 -0.0843 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5047 4.3166 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1263 4.1276 -0.2956 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0309 5.5028 -0.3787 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1668 6.2841 -0.2707 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0589 7.7844 -0.3623 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2023 8.2177 -1.8227 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0971 9.6802 -1.9121 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7922 -0.9059 2.4995 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4635 10.1534 -3.2537 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7497 10.1347 -1.5433 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6173 -2.1247 1.0855 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4346 -3.2322 1.7779 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3592 -4.5679 1.2453 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4193 -4.1631 0.6270 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5927 -2.8666 0.5141 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9904 -6.0123 1.4656 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7789 -2.2577 -0.1881 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3472 1.9182 2.2207 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2435 1.6844 -0.3796 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2880 6.3041 -0.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4698 3.8544 0.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2388 3.5180 -0.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0681 5.9686 -0.5287 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0881 8.1028 0.0175 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8496 8.2425 0.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1731 7.8994 -2.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4116 7.7596 -2.4169 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7946 9.7092 -3.9908 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3769 11.2392 -3.2922 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4908 9.8627 -3.4734 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5311 9.8304 -0.5197 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6995 11.2209 -1.6181 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0188 9.6898 -2.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3847 -6.3641 0.6305 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8976 -6.6125 1.5346 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4221 -6.1051 2.3911 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5867 -2.1065 0.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1155 -2.9272 -0.9797 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4924 -1.2990 -0.6204 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 12 13 2 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 24 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 24 26 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 M END > (17) 17 > (17) C19H22ClN5S > (17) 387.92948 > (17) CDK1 > (17) 9b > (17) PMID:17317182 > (17) 0.439 > (17) 2007 $$$$ Wcorina 06010715083D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 50 53 0 0 0 0 0 0 0 0999 V2000 0.3683 1.5329 1.8021 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2222 0.1595 1.8701 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2016 -0.6453 1.2746 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2341 -0.0614 0.6669 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3334 1.2577 0.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4215 2.0427 1.1810 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4200 1.8330 -0.0135 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4831 3.2206 -0.1729 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7671 5.2433 -0.2751 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7082 3.8727 -0.1168 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3214 3.9494 -0.3934 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3872 5.3199 -0.5509 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6080 5.9666 -0.4893 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6761 7.4621 -0.6616 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8554 7.7971 -2.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9217 9.2550 -2.3116 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1425 -0.5502 2.6749 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.3283 9.6096 -3.6779 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6405 9.8838 -1.9637 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0921 -2.1193 1.3199 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2249 -3.0467 0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0443 -4.3352 0.7139 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8195 -4.1969 2.0668 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8553 -2.8820 2.4183 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5382 -3.9752 -1.9942 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3607 -5.2508 -1.4771 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1153 -5.4361 -0.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4722 -2.8807 -1.1775 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3706 2.1830 2.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1367 1.2731 -0.3506 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7194 5.7510 -0.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6138 3.3084 0.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3677 3.4449 -0.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4844 5.8871 -0.7227 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7530 7.9123 -0.2964 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5206 7.8550 -0.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7784 7.3470 -2.5088 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0108 7.4042 -2.7097 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6049 9.2085 -4.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3694 10.6945 -3.7748 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3122 9.1888 -3.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3975 9.6625 -0.9244 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7174 10.9629 -2.0969 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8560 9.4927 -2.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6620 -4.9312 2.6808 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 -2.5024 3.4195 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7298 -3.8462 -3.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4151 -6.1064 -2.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9788 -6.4327 0.2591 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6109 -1.8907 -1.5862 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 24 2 0 0 0 0 21 28 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 28 2 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 M END > (18) 18 > (18) C22H22ClN5 > (18) 391.89658 > (18) CDK1 > (18) 9c > (18) PMID:17317182 > (18) 0.048 > (18) 2007 $$$$ Wcorina 06010715083D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 36 38 0 0 0 0 0 0 0 0999 V2000 -0.0167 1.3783 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1659 -0.6336 -0.0111 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3124 0.0385 -0.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3318 1.3643 -0.0212 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2011 2.0580 0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6538 2.3246 0.0226 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.2234 3.4556 0.0432 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5383 4.0986 -0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4903 -0.6779 -0.0270 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7408 -0.0912 0.1496 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8905 1.2865 0.2271 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8595 -0.9130 0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1080 -0.3587 0.4563 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2496 1.0135 0.5342 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1438 1.8367 0.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3493 3.5842 0.4731 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2102 4.1715 1.5458 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3731 5.2952 1.0543 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9046 4.8692 1.1347 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6190 3.8188 1.0665 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9861 4.0776 -0.8090 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9218 -0.5633 0.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4160 3.9750 0.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2928 3.3358 -0.3275 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4946 4.7876 -0.9784 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4457 -1.6376 -0.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0263 1.9288 0.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7498 -1.9854 0.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9741 -0.9973 0.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2269 1.4453 0.6919 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1022 3.8005 2.4356 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5354 6.1746 1.6776 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6338 5.5233 0.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2725 5.7532 1.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7577 4.2293 2.0048 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 7 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 9 20 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 16 2 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 14 15 2 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 17 22 2 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 M END > (19) 19 > (19) C13H14BrN5O2S > (19) 384.25156 > (19) CDK1 > (19) 6 > (19) PMID:17131463 > (19) 0.02 > (19) 2007 $$$$ Wcorina 06010715083D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 -0.0167 1.3781 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1666 -0.6343 -0.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3121 0.0379 0.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3333 1.3640 0.0031 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2011 2.0596 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6544 2.3234 0.0226 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.2202 3.4565 -0.0044 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 4.0956 -0.2153 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4924 -0.6759 0.0185 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7306 -0.0851 0.2634 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8410 1.2779 0.4991 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8725 -0.8831 0.2782 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1078 -0.3212 0.5312 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2161 1.0354 0.7683 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0836 1.8382 0.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1980 3.1742 0.9711 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2154 3.7814 1.8122 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5191 4.9120 1.0542 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0027 4.7156 1.1031 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7941 1.7481 1.0951 S 0 0 0 0 0 0 0 0 0 0 0 0 9.1352 2.7784 -0.1556 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6365 2.5589 2.2514 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7378 0.6890 1.0113 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9219 -0.5632 0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4129 3.9790 0.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2572 3.3468 -0.5423 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4461 4.8739 -0.9732 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4590 -1.6304 -0.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9593 1.9016 0.4875 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7911 -1.9438 0.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9907 -0.9432 0.5441 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4784 3.0344 2.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6986 4.1848 2.7021 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7754 5.8670 1.5131 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8511 4.9101 0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5146 5.6798 1.2455 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7476 4.0513 1.9288 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6856 3.5622 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7845 2.5982 -1.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 7 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 9 20 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 16 2 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 15 2 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 21 24 2 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 M END > (20) 20 > (20) C14H16BrN5O3S > (20) 414.27754 > (20) CDK1 > (20) 7 > (20) PMID:17131463 > (20) 0.08 > (20) 2007 $$$$ Wcorina 06010715083D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 50 53 0 0 0 0 0 0 0 0999 V2000 0.4070 1.3264 1.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4791 -0.0557 1.8697 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4847 -0.6556 1.1031 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3321 0.1212 0.4297 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2262 1.4391 0.4837 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2841 2.0339 1.2012 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1243 2.2179 -0.2290 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9613 3.6056 -0.2773 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9091 5.8058 -0.3853 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0736 4.4354 -0.3372 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6866 4.1574 -0.2713 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5291 5.5285 -0.3196 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6387 6.3520 -0.3739 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4630 7.8478 -0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3668 8.2985 -1.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1955 9.7566 -1.9378 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6505 -1.0218 2.7665 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3361 10.2547 -3.3126 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9040 10.1557 -1.3627 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6050 -2.1295 1.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4887 -2.9140 0.7784 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6032 -4.2929 0.7215 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8198 -4.9100 0.9234 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9545 -4.1502 1.1885 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8523 -2.7493 1.2441 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2727 -4.4707 1.4278 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9975 -3.3303 1.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1978 -2.2549 1.5299 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3592 1.8221 2.4736 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8659 1.8002 -0.6942 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7735 6.4515 -0.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0660 4.0094 -0.3458 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8196 3.5148 -0.2293 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5382 5.9582 -0.3154 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5502 8.1253 0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3174 8.3310 0.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2796 8.0210 -2.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5124 7.8153 -2.3599 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5798 9.7912 -3.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2048 11.3367 -3.3222 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3281 10.0057 -3.6895 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8548 9.8347 -0.3222 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8030 11.2398 -1.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0958 9.6886 -1.9256 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4717 -2.4468 0.6179 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2713 -4.8926 0.5167 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8918 -5.9866 0.8759 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6329 -5.3712 1.4464 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0566 -3.2977 1.8439 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4916 -1.2221 1.6455 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 25 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 M END > (2) 2 > (2) C22H22ClN5 > (2) 391.89658 > (2) CDK1 > (2) 9d > (2) PMID:17317182 > (2) 0.54 > (2) 2007 $$$$ Wcorina 06010715083D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 39 41 0 0 0 0 0 0 0 0999 V2000 -0.0167 1.3787 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1651 -0.6355 -0.0153 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3109 0.0376 -0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3332 1.3601 -0.0249 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2023 2.0586 0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6537 2.3252 0.0226 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.2392 3.4553 0.0560 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5608 4.0861 -0.1289 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4885 -0.6786 -0.0361 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7467 -0.1091 0.1412 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9045 1.2726 0.1914 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8535 -0.9387 0.2634 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1217 -0.3771 0.4794 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2630 1.0202 0.5343 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1602 1.8285 0.3677 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3479 3.5807 0.3555 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2687 4.1794 1.4857 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4040 5.2952 1.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9374 4.8660 1.1315 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6495 3.8510 0.8574 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8919 4.0269 -0.9142 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1957 -1.1718 0.6334 N 0 3 0 0 0 0 0 0 0 0 0 0 8.0694 -2.3823 0.5855 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2946 -0.6811 0.8206 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9223 -0.5626 0.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4386 3.9819 0.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3082 3.3149 -0.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5223 4.7670 -0.9792 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4377 -1.6371 -0.1755 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0423 1.9153 0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7391 -2.0103 0.1929 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2345 1.4593 0.7069 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2121 3.8168 2.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5711 6.1649 1.6704 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6433 5.5469 0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3040 5.7491 1.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 4.2325 2.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8699 -2.9122 0.7017 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 7 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 9 20 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 16 2 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 17 22 2 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 24 39 1 0 0 0 0 M CHG 1 23 1 M END > (21) 21 > (21) C13H14BrN6O4S+ > (21) 430.25706 > (21) CDK1 > (21) 24 > (21) PMID:17131463 > (21) 0.016 > (21) 2007 $$$$ Wcorina 06010715083D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 38 40 0 0 0 0 0 0 0 0999 V2000 -0.0167 1.3782 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1638 -0.6366 0.0022 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3102 0.0357 0.0138 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3334 1.3605 0.0014 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2017 2.0558 0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6531 2.3256 0.0226 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.2223 3.4544 0.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5402 4.0921 -0.1889 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4872 -0.6824 0.0372 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7389 -0.1098 0.2405 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9080 1.2692 0.3004 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8397 -0.9455 0.3967 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0974 -0.4057 0.6188 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2545 0.9748 0.6718 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1630 1.8059 0.5054 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3850 3.5510 0.5439 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2062 4.1678 1.5523 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 5.2752 0.9991 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9152 4.8723 1.0689 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6292 3.7841 1.1897 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0849 4.0237 -0.7621 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2010 -1.2447 0.7890 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9226 -0.5620 -0.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4154 3.9771 0.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2910 3.3250 -0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4908 4.7729 -1.0387 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4397 -1.6421 -0.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0552 1.9219 0.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7146 -2.0170 0.3452 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2328 1.3990 0.8433 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0628 3.8216 2.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5530 6.1782 1.5879 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6743 5.4552 -0.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2973 5.7676 1.1384 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7501 4.2481 1.9471 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0887 -2.2074 0.7519 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0798 -0.8645 0.9443 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 7 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 9 20 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 16 2 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 17 22 2 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 M END > (22) 22 > (22) C13H15BrN6O2S > (22) 399.2662 > (22) CDK1 > (22) 25 > (22) PMID:17131463 > (22) 0.028 > (22) 2007 $$$$ Wcorina 06010715083D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 36 38 0 0 0 0 0 0 0 0999 V2000 -0.0167 1.3783 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1678 -0.6349 -0.0159 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3077 0.0392 -0.0199 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3339 1.3617 0.0005 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2012 2.0606 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6546 2.3233 0.0226 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.2233 3.4549 -0.0132 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5400 4.1074 -0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5038 -0.6760 -0.1054 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6990 0.0087 0.2333 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3455 3.0842 2.1592 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0001 4.4102 1.1945 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1636 5.4503 1.8576 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7534 3.0822 2.3515 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4137 3.1132 3.2317 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8383 4.8817 1.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0220 5.8213 0.9092 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7418 1.1843 0.9624 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8952 -0.4580 -0.1524 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1615 0.6022 0.4512 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9699 1.6499 1.2092 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9219 -0.5632 0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4067 3.9739 0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3085 3.3504 -0.2951 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5267 4.7950 -0.9847 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5169 -1.6047 -0.3852 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3179 4.4939 0.2819 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7551 5.0556 2.7879 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7697 6.3319 2.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9624 5.4649 1.4295 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0836 4.1812 1.9432 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7129 6.8495 1.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3612 5.7266 -0.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 1.6876 1.3056 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0563 -1.3480 -0.7426 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 7 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 9 17 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 11 19 1 0 0 0 0 11 20 2 0 0 0 0 12 13 1 0 0 0 0 12 15 2 0 0 0 0 12 16 2 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 14 18 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 22 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 M END > (23) 23 > (23) C12H14BrN5O2S2 > (23) 404.30586 > (23) CDK1 > (23) 29 > (23) PMID:17131463 > (23) 0.015 > (23) 2007 $$$$ Wcorina 06010715083D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 35 37 0 0 0 0 0 0 0 0999 V2000 -0.0167 1.3778 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1621 -0.6402 -0.0136 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3071 0.0335 -0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3300 1.3567 -0.0174 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2031 2.0563 0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6532 2.3252 0.0226 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.2242 3.4108 0.0235 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2183 4.0617 -0.7679 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4851 -0.6823 -0.0214 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7465 -0.0913 -0.0497 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9023 1.2799 -0.2034 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8696 -0.9029 0.0794 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1325 -0.3475 0.0542 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2806 1.0164 -0.1038 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1676 1.8307 -0.2365 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3837 3.5641 -0.4548 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1637 4.3177 0.4004 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3514 5.2968 -0.3616 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8886 5.1600 0.0611 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6002 3.9029 0.1968 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1358 3.8305 -1.8285 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9234 -0.5606 0.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9673 3.3343 -1.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7506 4.5042 -1.6474 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4330 -1.6507 -0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0338 1.9151 -0.2974 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7525 -1.9698 0.1999 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0032 -0.9780 0.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2693 1.4506 -0.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9965 4.1269 1.3367 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7006 6.3068 -0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4435 5.0956 -1.4289 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3726 6.1058 -0.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8387 4.8987 1.1181 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 7 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 20 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 16 2 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 14 15 2 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 17 22 2 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 M END > (24) 24 > (24) C13H13BrN4O3S > (24) 385.23632 > (24) CDK1 > (24) 34 > (24) PMID:17131463 > (24) 0.05 > (24) 2007 $$$$ Wcorina 06010715083D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 35 37 0 0 0 0 0 0 0 0999 V2000 -0.0167 1.3767 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1671 -0.6303 -0.0135 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3139 0.0441 -0.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3340 1.3672 -0.0015 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2009 2.0638 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6560 2.3192 0.0226 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.2240 3.8253 -0.0107 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0087 4.1220 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4843 -0.6846 -0.0202 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7527 -0.1305 0.1242 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9418 1.2431 0.1856 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8539 -0.9803 0.2098 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1225 -0.4595 0.3615 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3018 0.9095 0.4221 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2151 1.7599 0.3234 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4668 3.5030 0.3577 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3278 4.1335 1.4046 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8133 5.4816 1.0612 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3070 5.3833 0.8154 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7336 3.7151 0.9655 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1333 3.9837 -0.9373 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9211 -0.5645 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5164 3.2692 0.4513 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3615 4.2574 -1.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4194 -1.6455 -0.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0929 1.9081 0.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7137 -2.0499 0.1577 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9737 -1.1203 0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2942 1.3169 0.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0221 3.6486 2.1871 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0050 6.1673 1.8865 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3082 5.8432 0.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9703 6.2609 0.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7851 5.3314 1.7709 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 7 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 20 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 16 2 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 14 15 2 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 17 22 2 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 M END > (25) 25 > (25) C13H13BrN4O2S2 > (25) 401.30192 > (25) CDK1 > (25) 35 > (25) PMID:17131463 > (25) 0.01 > (25) 2007 $$$$ Wcorina 06010715083D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 -0.0166 1.3764 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1622 -0.6360 -0.0061 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3168 0.0336 -0.0171 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3267 1.3562 -0.0044 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2040 2.0603 0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6537 2.3242 0.0226 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.1876 3.4561 -0.0026 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4637 4.1882 -0.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4647 -0.7197 -0.0694 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7727 -0.2591 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0978 1.0613 0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8005 -1.1751 -0.2533 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1178 -0.7695 -0.2155 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4284 0.5490 0.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4182 1.4650 0.2892 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8262 3.1415 0.6430 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6565 3.7233 1.6818 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6414 4.6381 1.0966 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2822 3.9483 1.1601 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0392 3.1054 1.3867 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6896 3.8564 -0.5757 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2080 3.7564 -1.3621 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4598 4.1485 -2.5147 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9236 -0.5615 -0.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3449 3.9450 0.0667 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2392 5.2607 -0.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3463 -1.6902 -0.1513 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3180 1.7824 0.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5602 -2.2058 -0.4665 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9101 -1.4817 -0.4003 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4603 0.8659 0.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6394 3.4815 2.6233 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6054 5.5527 1.7044 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9212 4.9095 0.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7257 4.3608 2.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4023 2.8821 1.3376 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1884 4.2322 -1.3862 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3297 2.6732 -1.3592 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8743 3.9057 -3.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 7 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 9 20 1 0 0 0 0 9 23 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 16 2 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 17 22 2 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 M END > (26) 26 > (26) C14H16BrN5O3S > (26) 414.27754 > (26) CDK1 > (26) 40 > (26) PMID:17131463 > (26) 0.018 > (26) 2007 $$$$ Wcorina 06010715083D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 44 46 0 0 0 0 0 0 0 0999 V2000 -0.0167 1.3781 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1666 -0.6343 -0.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3121 0.0379 0.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3333 1.3640 0.0031 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2011 2.0596 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6544 2.3234 0.0226 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.2202 3.4565 -0.0044 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 4.0956 -0.2153 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4924 -0.6759 0.0185 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7306 -0.0851 0.2634 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8410 1.2779 0.4991 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8725 -0.8831 0.2782 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1078 -0.3212 0.5312 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2161 1.0354 0.7683 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0836 1.8382 0.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1980 3.1742 0.9711 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2154 3.7814 1.8122 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5191 4.9120 1.0542 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0027 4.7156 1.1031 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4099 5.1881 -1.2791 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0737 4.5941 -2.5345 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7941 1.7481 1.0951 S 0 0 0 0 0 0 0 0 0 0 0 0 9.1352 2.7784 -0.1556 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6365 2.5589 2.2514 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7378 0.6890 1.0113 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9219 -0.5632 0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4129 3.9790 0.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2572 3.3468 -0.5423 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4590 -1.6304 -0.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9593 1.9016 0.4875 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7911 -1.9438 0.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9907 -0.9432 0.5441 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4784 3.0344 2.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6986 4.1848 2.7021 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7754 5.8670 1.5131 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8511 4.9101 0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5147 5.6798 1.2455 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7476 4.0513 1.9288 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6283 5.8900 -0.9883 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3583 5.7176 -1.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9776 5.2295 -3.2571 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5011 2.8865 -0.8817 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9691 3.2739 -0.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 7 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 16 2 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 23 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 23 26 2 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 M END > (27) 27 > (27) C15H18BrN5O4S > (27) 444.30352 > (27) CDK1 > (27) 45 > (27) PMID:17131463 > (27) 0.13 > (27) 2007 $$$$ Wcorina 06010715083D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 -0.0145 1.3162 0.0014 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0043 -0.0047 -0.0161 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1559 -0.6527 -0.0435 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3024 0.0242 -0.0536 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2873 1.3531 -0.0361 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1273 2.0002 -0.0086 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5940 -0.7034 -0.0839 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8001 -0.0041 -0.0947 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9501 -0.6453 -0.1216 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0143 -1.9623 -0.1394 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8587 -2.7340 -0.1303 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6211 -2.0999 -0.0962 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1061 3.3814 0.0092 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9390 -4.1289 -0.1497 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2475 -4.7870 -0.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0549 -6.3047 -0.1964 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4215 -6.9919 -0.2279 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2415 -8.4095 -0.2433 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1113 4.0632 -0.0815 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2925 5.2578 0.6035 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1397 3.5502 -0.8613 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3414 4.2256 -0.9492 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5217 5.4116 -0.2621 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4970 5.9291 0.5116 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7255 7.4220 1.3675 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9240 -0.5566 -0.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7912 1.0758 -0.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9787 -2.4480 -0.1616 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7052 -2.6722 -0.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9358 3.8782 0.0846 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1283 -4.6615 -0.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7882 -4.4796 -1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8176 -4.5027 0.7046 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5142 -6.6121 0.6987 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4847 -6.5890 -1.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9622 -6.6845 -1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9916 -6.7076 0.6566 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0683 -8.9107 -0.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5067 5.6614 1.2074 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9998 2.6239 -1.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1410 3.8269 -1.5559 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4622 5.9376 -0.3326 H 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 2 26 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 29 1 0 0 0 0 13 19 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 20 24 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 M END > (28) 28 > (28) C17H17ClN6O > (28) 356.80948 > (28) CDK1 > (28) 8 > (28) PMID:15999992 > (28) 0.06 > (28) 2005 $$$$ Wcorina 06010715083D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 48 51 0 0 0 0 0 0 0 0999 V2000 -0.0145 1.3162 0.0017 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 -0.0047 -0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1559 -0.6528 -0.0426 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3024 0.0241 -0.0528 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2874 1.3530 -0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1274 2.0002 -0.0084 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5940 -0.7036 -0.0826 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8002 -0.0044 -0.0935 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9501 -0.6457 -0.1199 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0142 -1.9626 -0.1366 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8585 -2.7343 -0.1273 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6210 -2.1001 -0.0942 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1063 3.3810 0.0092 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9388 -4.1292 -0.1456 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2473 -4.7874 -0.1748 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0545 -6.3051 -0.1902 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4211 -6.9925 -0.2208 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2411 -8.4100 -0.2352 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1129 4.0639 -0.0817 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2930 5.2578 0.6033 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1402 3.5503 -0.8613 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3428 4.2248 -0.9527 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5273 5.4160 -0.2672 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4995 5.9341 0.5126 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6622 7.1017 1.1929 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7168 6.0708 -0.3758 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9976 7.0640 0.6164 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7456 7.9417 0.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9241 -0.5565 -0.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7913 1.0755 -0.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9786 -2.4484 -0.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7051 -2.6723 -0.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9360 3.8778 0.0845 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1280 -4.6618 -0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7883 -4.4807 -1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8171 -4.5025 0.7096 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5135 -6.6118 0.7049 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4847 -6.5900 -1.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9622 -6.6858 -1.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9910 -6.7075 0.6637 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0678 -8.9113 -0.2547 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5070 5.6596 1.2074 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9994 2.6232 -1.3971 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1408 3.8234 -1.5597 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8357 7.6808 0.2921 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2409 6.5801 1.5623 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9282 8.7046 1.5367 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5010 8.4166 -0.1701 H 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 2 29 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 32 1 0 0 0 0 13 19 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 20 24 2 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 23 2 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 M END > (29) 29 > (29) C19H20N6O3 > (29) 380.4005 > (29) CDK1 > (29) 12 > (29) PMID:15999992 > (29) 0.344 > (29) 2005 $$$$ Wcorina 06010715083D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 55 58 0 0 0 0 0 0 0 0999 V2000 -0.0145 1.3161 0.0014 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0043 -0.0047 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1559 -0.6528 -0.0434 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3025 0.0241 -0.0535 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 1.3530 -0.0361 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1274 2.0002 -0.0086 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5940 -0.7036 -0.0838 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8002 -0.0044 -0.0947 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9501 -0.6457 -0.1220 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0142 -1.9627 -0.1397 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8585 -2.7343 -0.1302 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6210 -2.1002 -0.0961 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1064 3.3809 0.0092 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9387 -4.1292 -0.1496 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2472 -4.7874 -0.1804 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0544 -6.3051 -0.1968 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4209 -6.9924 -0.2289 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2409 -8.4100 -0.2443 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1134 4.0641 -0.0817 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2930 5.2583 0.6037 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1407 3.5500 -0.8618 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3427 4.2234 -0.9518 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5242 5.4151 -0.2621 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4951 5.9317 0.5142 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7423 6.0980 -0.3537 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7182 7.3283 0.4508 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8620 5.2344 0.0485 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1768 5.9996 -0.1233 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1230 7.2074 0.6408 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0446 8.0725 0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9241 -0.5565 -0.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7914 1.0755 -0.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9785 -2.4485 -0.1623 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7051 -2.6723 -0.0834 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9361 3.8777 0.0846 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1280 -4.6618 -0.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7875 -4.4800 -1.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8177 -4.5032 0.7038 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5141 -6.6124 0.6985 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4839 -6.5893 -1.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9613 -6.6851 -1.1243 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9915 -6.7082 0.6553 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0676 -8.9112 -0.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5074 5.6603 1.2071 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9994 2.6234 -1.3984 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1415 3.8237 -1.5588 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6348 6.8605 1.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5804 7.0735 1.5015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8974 7.9641 0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8760 4.3418 -0.5769 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7424 4.9461 1.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3225 6.2412 -1.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0049 5.3837 0.2274 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0538 8.9557 0.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1573 8.3744 -0.7663 H 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 2 31 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 34 1 0 0 0 0 13 19 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 20 24 2 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 30 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 M END > (30) 30 > (30) C21H25N7O2 > (30) 407.4689 > (30) CDK1 > (30) 16 > (30) PMID:15999992 > (30) 1.24 > (30) 2005 $$$$ Wcorina 06010715083D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 50 53 0 0 0 0 0 0 0 0999 V2000 0.4648 1.3846 1.7492 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4813 0.0003 1.7435 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5490 -0.6501 1.1168 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5068 0.0813 0.5507 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4514 1.4032 0.5794 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4520 2.0461 1.1660 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4650 2.1343 -0.0196 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3670 3.5264 -0.1037 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4076 5.6869 -0.0853 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 4.3120 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1291 4.1267 -0.2956 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0358 5.5021 -0.3788 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1731 6.2815 -0.2716 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0675 7.7820 -0.3633 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2115 8.2151 -1.8237 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1086 9.6778 -1.9130 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7928 -0.9067 2.4971 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.2428 10.3273 -1.2424 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0043 10.1137 -3.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6137 -2.1307 1.0837 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1372 -2.8751 2.1685 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1898 -4.2388 2.1542 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7207 -4.9079 1.0548 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2029 -4.1695 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1420 -2.7771 -0.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9030 -6.2392 0.7584 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4781 -6.3677 -0.4766 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6852 -5.1554 -1.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3469 1.9189 2.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2425 1.6802 -0.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2943 6.2983 -0.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4723 3.8482 0.1442 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2407 3.5185 -0.3801 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0737 5.9694 -0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0972 8.1019 0.0165 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8589 8.2389 0.2309 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1818 7.8953 -2.2035 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4201 7.7582 -2.4179 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1731 10.0128 -1.7154 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1416 11.4095 -1.3236 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2552 10.0414 -0.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1163 9.6725 -3.7648 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9294 11.2004 -3.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8898 9.7915 -3.8599 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7239 -2.3653 3.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8187 -4.8006 2.9986 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5066 -2.2058 -0.8673 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6603 -6.9773 1.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7288 -7.3060 -0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1235 -4.9463 -1.9786 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 25 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 26 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 M END > (3) 3 > (3) C22H22ClN5 > (3) 391.89658 > (3) CDK1 > (3) 9e > (3) PMID:17317182 > (3) 0.847 > (3) 2007 $$$$ Wcorina 06010715083D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 -0.0145 1.3161 0.0013 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0043 -0.0047 -0.0161 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1562 -0.6527 -0.0431 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3021 0.0239 -0.0532 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2873 1.3522 -0.0362 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1273 1.9998 -0.0086 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5949 -0.7046 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 -0.0105 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9908 -0.7221 -0.1219 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9885 -2.0416 -0.1381 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8638 -2.7396 -0.1286 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6306 -2.0981 -0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1066 3.3809 0.0092 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9162 -4.1287 -0.1466 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6761 -4.9087 -0.1363 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0122 -6.4012 -0.1602 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7171 -7.2158 -0.1493 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0310 -8.6097 -0.1716 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1106 4.0631 -0.0815 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2915 5.2577 0.6034 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1392 3.5503 -0.8613 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3407 4.2261 -0.9492 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5205 5.4124 -0.2624 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4959 5.9293 0.5116 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7237 7.4226 1.3671 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9240 -0.5566 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8227 1.0693 -0.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9314 -0.1916 -0.1308 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7147 -2.6704 -0.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9364 3.8775 0.0846 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7738 -4.5815 -0.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1095 -4.6783 0.7659 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0808 -4.6563 -1.0137 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5789 -6.6316 -1.0623 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6076 -6.6536 0.7173 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1505 -6.9853 0.7528 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1218 -6.9633 -1.0268 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2557 -9.1876 -0.1663 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5078 5.6611 1.2074 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9996 2.6241 -1.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1406 3.8275 -1.5556 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4608 5.9389 -0.3332 H 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 2 26 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 29 1 0 0 0 0 13 19 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 20 24 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 M END > (31) 31 > (31) C17H17ClN6O > (31) 356.80948 > (31) CDK1 > (31) 20 > (31) PMID:15999992 > (31) 1.24 > (31) 2005 $$$$ Wcorina 06010715083D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 44 46 0 0 0 0 0 0 0 0999 V2000 -0.0146 1.3239 0.0017 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 -0.0047 -0.0157 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1651 -0.6530 -0.0428 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3064 0.0280 -0.0529 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2874 1.3570 -0.0359 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1267 2.0050 -0.0084 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6022 -0.6955 -0.0827 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8144 0.0033 -0.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9980 -0.7037 -0.1215 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0009 -2.0232 -0.1377 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8789 -2.7255 -0.1281 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6432 -2.0888 -0.0945 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1070 3.3863 0.0097 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9366 -4.1144 -0.1461 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6996 -4.8992 -0.1357 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0414 -6.3903 -0.1595 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7495 -7.2100 -0.1486 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0688 -8.6027 -0.1708 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1098 4.0694 -0.0806 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2896 5.2640 0.6048 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1388 3.5577 -0.8604 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3397 4.2346 -0.9482 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5185 5.4208 -0.2611 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4934 5.9367 0.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7201 7.4296 1.3694 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 -0.7118 -0.0052 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8230 1.0832 -0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9366 -0.1695 -0.1305 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7296 -2.6646 -0.0818 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9372 3.8823 0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7960 -4.5639 -0.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1321 -4.6709 0.7664 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1033 -4.6491 -1.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6090 -6.6187 -1.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6378 -6.6404 0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1820 -6.9816 0.7535 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1532 -6.9599 -1.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2957 -9.1835 -0.1654 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5100 5.6664 1.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0001 2.6313 -1.3979 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1398 3.8369 -1.5549 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4582 5.9482 -0.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0277 -0.2390 0.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1673 -1.6817 -0.0179 H 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 2 26 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 29 1 0 0 0 0 13 19 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 20 24 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 M END > (32) 32 > (32) C17H18ClN7O > (32) 371.82412 > (32) CDK1 > (32) 33 > (32) PMID:15999992 > (32) 1.108 > (32) 2005 $$$$ Wcorina 06010715083D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 43 45 0 0 0 0 0 0 0 0999 V2000 -0.0177 1.3171 0.0456 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -0.0027 0.0538 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1491 -0.6525 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3492 0.0539 0.0084 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3355 1.3838 0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1790 2.0313 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1597 3.4218 0.0089 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3558 4.1380 0.1069 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5016 5.3447 -0.5657 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3992 3.6475 0.8816 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5802 4.3575 0.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 5.5556 0.3026 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6856 6.0504 -0.4663 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8696 7.5586 -1.3061 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.6409 -0.6761 -0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8568 0.0166 -0.0389 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0363 -0.6962 -0.0564 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0327 -2.0162 -0.0474 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9069 -2.7129 -0.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6751 -2.0699 0.0036 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9578 -4.1022 -0.0132 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7170 -4.8806 0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0515 -6.3736 0.0189 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7556 -7.1864 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0680 -8.5809 0.0521 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9601 1.8445 0.0557 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1588 -1.7325 0.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3160 3.8947 -0.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6908 5.7306 -1.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2870 2.7118 1.4091 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3914 3.9764 1.5796 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6495 6.1087 0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8707 1.0965 -0.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9775 -0.1670 -0.0782 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7588 -2.6409 0.0295 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8149 -4.5562 -0.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1534 -4.6325 0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1192 -4.6441 -0.8646 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6151 -6.6216 -0.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6493 -6.6101 0.8991 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1920 -6.9384 0.9484 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1578 -6.9499 -0.8312 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2921 -9.1577 0.0707 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 9 13 2 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 M END > (33) 33 > (33) C18H18ClN5O > (33) 355.82142 > (33) CDK1 > (33) 47 > (33) PMID:15771433 > (33) 0.5 > (33) 2005 $$$$ Wcorina 06010715083D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 43 45 0 0 0 0 0 0 0 0999 V2000 -0.0762 1.2251 -0.2316 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9032 1.6475 0.5464 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0678 1.0244 0.5455 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2666 -0.0824 -0.2779 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2812 -0.5100 -1.0629 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1143 0.1193 -1.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9191 -0.3242 -1.8763 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6902 -1.3511 -2.7962 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6979 -2.2617 -3.0878 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5434 -1.4598 -3.4253 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7668 -2.4753 -4.3345 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2358 -3.3836 -4.6192 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4683 -3.2755 -3.9983 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7265 -4.4144 -4.3639 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5737 -0.7815 -0.2795 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7692 -0.0695 -0.4074 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9644 -0.7587 -0.4042 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9926 -2.0722 -0.2828 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8930 -2.7878 -0.1595 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6459 -2.1772 -0.1468 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4855 -2.9374 -0.0097 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5788 -4.3786 0.2363 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1717 -4.9694 0.3459 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2691 -6.4745 0.6028 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0451 -7.0263 0.7052 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0283 1.7349 -0.2243 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8668 1.3731 1.1831 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7986 0.0792 -1.8085 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6595 -2.1776 -2.6032 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3273 -0.7506 -3.2039 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7259 -2.5597 -4.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0585 -4.1765 -5.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7578 1.0058 -0.5077 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8919 -0.2143 -0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9628 -3.8612 -0.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6163 -2.5122 -0.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1094 -4.8544 -0.5884 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 -4.5542 1.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 -4.4936 1.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6305 -4.7938 -0.5838 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7997 -6.9503 -0.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8103 -6.6501 1.5325 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0599 -7.9793 0.8683 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 9 13 2 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 M END > (34) 34 > (34) C18H18ClN5O > (34) 355.82142 > (34) CDK1 > (34) 51 > (34) PMID:15771433 > (34) 2.22 > (34) 2005 $$$$ Wcorina 06010715083D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 -0.0178 1.3185 0.0461 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0012 -0.0027 0.0549 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1467 -0.6529 0.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3522 0.0567 0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3356 1.3907 0.0012 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1766 2.0347 0.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1534 3.4252 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3476 4.1446 0.1069 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4901 5.3516 -0.5657 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3923 3.6570 0.8817 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5713 4.3702 0.9771 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7129 5.5687 0.3027 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6722 6.0606 -0.4662 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8521 7.5692 -1.3061 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.6329 -0.6653 -0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8732 -0.1357 -0.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8257 -1.0761 -0.0464 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3572 -2.2933 -0.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8462 -2.1680 0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0824 -3.4493 -0.0349 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5461 -3.3956 -0.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1087 -4.8184 -0.0625 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6375 -4.7623 -0.0905 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1629 -6.0912 -0.0912 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9608 1.8448 0.0558 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1558 -1.7329 0.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3085 3.8957 -0.0657 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6784 5.7353 -1.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2827 2.7210 1.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3835 3.9913 1.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6359 6.1243 0.3791 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0747 0.9253 -0.0465 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4407 -2.6077 0.9156 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4027 -2.6286 -0.8784 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6287 -4.3065 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8742 -2.8747 -0.9612 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9064 -2.8629 0.8184 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7807 -5.3393 0.8371 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7485 -5.3511 -0.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9655 -4.2414 -0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9977 -4.2297 0.7896 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1289 -6.1322 -0.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 9 13 2 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 11 12 2 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 M END > (35) 35 > (35) C17H18ClN5O > (35) 343.81072 > (35) CDK1 > (35) 59 > (35) PMID:15771433 > (35) 8.08 > (35) 2005 $$$$ Wcorina 06010715083D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 42 47 0 0 0 0 0 0 0 0999 V2000 -0.0168 1.3892 0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2335 -0.6695 -0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3674 -0.0078 -0.0202 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4038 1.3204 -0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2064 2.0607 0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5930 3.4766 0.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4295 2.2288 -0.0179 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9050 3.5245 -0.0075 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6759 4.6333 0.0191 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2652 -0.7715 0.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0642 5.9467 0.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6336 4.5581 0.0250 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1613 5.8062 0.0379 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6306 8.5418 0.0637 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3317 8.0780 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0859 6.7127 0.0363 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4719 6.2943 0.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6953 7.6522 0.0616 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3935 -1.1716 0.9563 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6615 -2.1415 0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7236 -2.5095 -0.8653 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4904 -1.8113 -0.9247 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2565 -0.4941 0.9363 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9739 -3.5412 -1.7843 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0287 -3.8569 -2.7126 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8164 -3.1723 -2.7657 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5421 -2.1624 -1.8919 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9499 1.9330 0.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2512 -1.7493 -0.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3738 2.0070 -0.0278 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9760 6.2774 0.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8202 9.6050 0.0712 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4923 8.7762 0.0477 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3058 5.6080 0.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7076 8.0283 0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6059 -2.6617 0.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0983 0.2927 1.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9091 -4.0806 -1.7551 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2220 -4.6506 -3.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0844 -3.4435 -3.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3999 -1.6370 -1.9461 H 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 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 11 1 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 10 12 1 0 0 0 0 10 13 2 0 0 0 0 11 23 2 0 0 0 0 11 24 1 0 0 0 0 12 17 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 14 18 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 19 2 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 24 2 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 28 1 0 0 0 0 24 38 1 0 0 0 0 25 26 2 0 0 0 0 25 39 1 0 0 0 0 26 27 1 0 0 0 0 26 40 1 0 0 0 0 27 28 2 0 0 0 0 27 41 1 0 0 0 0 28 42 1 0 0 0 0 M END > (36) 36 > (36) C22H14N6 > (36) 362.38676 > (36) CDK1 > (36) 1b > (36) PMID:17234412 > (36) 0.023 > (36) 2007 $$$$ Wcorina 06010715083D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 50 53 0 0 0 0 0 0 0 0999 V2000 0.4648 1.3846 1.7492 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4814 0.0004 1.7437 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5494 -0.6502 1.1169 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5073 0.0816 0.5507 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4515 1.4034 0.5794 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4520 2.0462 1.1659 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4650 2.1348 -0.0196 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 3.5269 -0.1037 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4068 5.6875 -0.0848 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5075 4.3127 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1287 4.1269 -0.2956 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0351 5.5022 -0.3782 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1721 6.2819 -0.2706 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0660 7.7825 -0.3607 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2100 8.2172 -1.8206 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1066 9.6799 -1.9084 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7927 -0.9066 2.4973 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.2405 10.3291 -1.2371 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0023 10.1172 -3.3069 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6142 -2.1300 1.0839 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1487 -2.7737 -0.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2081 -4.1604 -0.0542 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7251 -4.8968 1.0444 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1901 -4.2340 2.1531 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 -2.8718 2.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6678 -5.0693 -0.9821 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4935 -6.3413 -0.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9289 -6.3065 0.7066 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3470 1.9190 2.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2426 1.6808 -0.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2934 6.2991 -0.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4720 3.8491 0.1438 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2404 3.5185 -0.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0728 5.9694 -0.5273 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0956 8.1016 0.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8572 8.2390 0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1805 7.8980 -2.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4188 7.7606 -2.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1710 10.0154 -1.7103 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1390 11.4114 -1.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2530 10.0421 -0.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1145 9.6762 -3.7603 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9270 11.2040 -3.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8879 9.7959 -3.8551 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5157 -2.1978 -0.8628 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8197 -4.8004 2.9947 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7329 -2.3618 3.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0568 -4.8409 -1.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7689 -7.2412 -1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6741 -7.1574 1.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 25 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 26 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 24 25 2 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 M END > (4) 4 > (4) C22H22ClN5 > (4) 391.89658 > (4) CDK1 > (4) 9f > (4) PMID:17317182 > (4) 1.77 > (4) 2007 $$$$ Pyrazine-Pyridine Biheteroaryl 61 csChFnd80/03251016352D 27 29 0 0 0 0 0 0 0 0999 V2000 -0.7188 3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4332 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7188 1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0043 2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4332 2.7875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0043 1.9625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7188 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4332 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7188 -0.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0043 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0043 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4332 -0.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4247 2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1392 3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4247 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1392 1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8536 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8536 2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5681 3.2000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7102 3.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4247 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7102 -0.9250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1391 -0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8536 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5681 -0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5681 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2826 -0.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 4 2 0 0 0 0 5 2 2 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 6 4 1 0 0 0 0 4 20 1 0 0 0 0 20 13 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 12 2 0 0 0 0 12 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 22 1 0 0 0 0 14 13 2 0 0 0 0 13 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 22 21 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 27 1 0 0 0 0 25 26 2 0 0 0 0 M END > (462) 563 > (462) C19H18ClN5O2 > (462) 383.83152 > (462) CDK-1 > (462) 1574 > (462) 5220 > (462) 460 $$$$ Pyrazine-Pyridine Biheteroaryl 53 csChFnd80/03251016352D 30 33 0 0 0 0 0 0 0 0999 V2000 -0.7188 3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4332 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7188 1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0043 2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4332 2.7875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0043 1.9625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7188 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4332 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7188 -0.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0043 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0043 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4332 -0.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4247 2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1392 3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4247 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1392 1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8536 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8536 2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5681 3.2000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7102 3.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4247 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7102 -0.9250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1391 -0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8536 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2825 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5680 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2825 -2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9969 -0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5680 -0.9250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9969 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 4 2 0 0 0 0 5 2 2 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 6 4 1 0 0 0 0 4 20 1 0 0 0 0 20 13 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 12 2 0 0 0 0 12 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 22 1 0 0 0 0 14 13 2 0 0 0 0 13 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 22 21 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 29 1 0 0 0 0 25 29 1 0 0 0 0 29 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 27 30 1 0 0 0 0 30 28 1 0 0 0 0 M END > (470) 587 > (470) C23H27ClN6 > (470) 422.95368 > (470) CDK-1 > (470) 1598 > (470) 5385 > (470) 468 $$$$ Pyrazine-Pyridine Biheteroaryl 55 csChFnd80/03251016352D 31 34 0 0 0 0 0 0 0 0999 V2000 -0.7188 3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4332 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7188 1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0043 2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4332 2.7875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0043 1.9625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7188 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4332 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7188 -0.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0043 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0043 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4332 -0.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4247 2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1392 3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4247 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1392 1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8536 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8536 2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5681 3.2000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7102 3.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4247 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7102 -0.9250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1391 -0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8536 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5680 -0.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2825 -0.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9970 0.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2825 0.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9970 -0.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7115 -0.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7115 0.3124 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 4 2 0 0 0 0 5 2 2 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 6 4 1 0 0 0 0 4 20 1 0 0 0 0 20 13 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 12 2 0 0 0 0 12 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 22 1 0 0 0 0 14 13 2 0 0 0 0 13 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 22 21 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 28 26 1 0 0 0 0 26 29 2 0 0 0 0 27 28 2 0 0 0 0 27 31 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 M END > (472) 589 > (472) C24H23ClN6 > (472) 430.93262 > (472) CDK-1 > (472) 1600 > (472) 10000 > (472) 470 $$$$ Pyrazine-Pyridine Biheteroaryl 50 csChFnd80/03251016352D 30 33 0 0 0 0 0 0 0 0999 V2000 -0.7188 3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4332 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7188 1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0043 2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4332 2.7875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0043 1.9625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7188 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4332 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7188 -0.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0043 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0043 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4332 -0.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4247 2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1392 3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4247 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1392 1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8536 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8536 2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5681 3.2000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7102 3.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4247 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7102 -0.9250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1391 -0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8536 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2457 -2.1831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9964 -0.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2944 -0.5337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5437 -1.7497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5680 -0.9250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9720 -1.7918 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 4 2 0 0 0 0 5 2 2 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 6 4 1 0 0 0 0 4 20 1 0 0 0 0 20 13 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 12 2 0 0 0 0 12 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 22 1 0 0 0 0 14 13 2 0 0 0 0 13 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 22 21 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 29 1 0 0 0 0 27 29 1 0 0 0 0 29 28 1 0 0 0 0 25 30 1 0 0 0 0 25 28 1 0 0 0 0 30 26 1 0 0 0 0 26 27 1 0 0 0 0 M END > (479) 602 > (479) C22H26ClN7 > (479) 423.94174 > (479) CDK-1 > (479) 1613 > (479) 5615 > (479) 477 $$$$ Wcorina 06010715083D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 50 53 0 0 0 0 0 0 0 0999 V2000 0.4340 1.4285 1.7673 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4024 0.0447 1.7867 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4463 -0.6538 1.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4281 0.0340 0.5901 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4183 1.3573 0.5952 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4426 2.0448 1.1711 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4557 2.0422 -0.0175 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4055 3.4351 -0.1268 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5198 5.5584 -0.1478 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5729 4.1827 -0.0394 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1888 4.0740 -0.3286 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1427 5.4501 -0.4361 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3062 6.1918 -0.3434 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2520 7.6932 -0.4607 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4090 8.0962 -1.9283 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3561 9.5598 -2.0426 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9011 -0.8037 2.5579 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7376 9.9966 -3.3923 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0263 10.0684 -1.6808 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4596 -2.1349 1.1641 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6705 -4.2383 -0.0207 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4799 -4.9261 1.1794 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2771 -4.2255 2.3485 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 -2.8407 2.3463 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8707 -2.4378 -1.3343 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0108 -3.5360 -2.1387 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9056 -4.6555 -1.4057 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6617 -2.8327 -0.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3579 1.9992 2.2295 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 1.5551 -0.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4272 6.1403 -0.0799 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5211 3.6886 0.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2799 3.4953 -0.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1970 5.9475 -0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2937 8.0526 -0.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0593 8.1328 0.1252 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3673 7.7368 -2.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6017 7.6566 -2.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0523 9.5641 -4.1213 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6899 11.0840 -3.4493 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7535 9.6656 -3.6077 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7982 9.7897 -0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0149 11.1544 -1.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2791 9.6386 -2.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4912 -6.0060 1.1913 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1297 -4.7607 3.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1062 -2.3048 3.2702 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9096 -1.5171 -1.6371 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1843 -3.5063 -3.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9791 -5.6703 -1.7677 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 24 1 0 0 0 0 20 28 2 0 0 0 0 21 22 2 0 0 0 0 21 27 1 0 0 0 0 21 28 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 25 48 1 0 0 0 0 26 27 2 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 M END > (5) 5 > (5) C22H22ClN5 > (5) 391.89658 > (5) CDK1 > (5) 9g > (5) PMID:17317182 > (5) 0.334 > (5) 2007 $$$$ Pyrazine-Pyridine Biheteroaryl 42 csChFnd80/03251016352D 28 30 0 0 0 0 0 0 0 0999 V2000 -0.7188 3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4332 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7188 1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0043 2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4332 2.7875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0043 1.9625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7188 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4332 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7188 -0.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0043 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0043 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4332 -0.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4247 2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1392 3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4247 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1392 1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8536 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8536 2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5681 3.2000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7102 3.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1391 -0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8536 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5681 -0.9250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2825 -0.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5680 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7102 -0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7102 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4247 -0.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 4 2 0 0 0 0 5 2 2 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 6 4 1 0 0 0 0 4 20 1 0 0 0 0 20 13 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 12 2 0 0 0 0 12 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 14 13 2 0 0 0 0 13 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 26 28 1 0 0 0 0 28 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 26 27 2 0 0 0 0 M END > (597) 794 > (597) C20H21ClN6O > (597) 396.87334 > (597) CDK-1 > (597) 1805 > (597) 3690 > (597) 595 $$$$ Wcorina 06010715083D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 49 52 0 0 0 0 0 0 0 0999 V2000 0.4646 1.3845 1.7493 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4812 0.0005 1.7441 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5497 -0.6503 1.1171 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5078 0.0819 0.5507 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4515 1.4037 0.5795 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4518 2.0462 1.1660 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4651 2.1354 -0.0191 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3663 3.5274 -0.1032 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4058 5.6884 -0.0839 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5068 4.3136 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1283 4.1270 -0.2956 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0342 5.5024 -0.3782 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1709 6.2825 -0.2697 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0645 7.7830 -0.3603 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2081 8.2172 -1.8203 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1044 9.6798 -1.9087 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7928 -0.9065 2.4978 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4711 10.1535 -3.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7574 10.1353 -1.5395 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6147 -2.1289 1.0842 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6713 -2.9370 0.4649 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1363 -4.2767 1.3780 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7411 -2.9552 1.6084 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2953 -4.9660 -0.4837 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1435 -5.2924 0.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3164 -4.2814 0.6788 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8447 -2.6302 -0.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6411 -3.6371 -0.6927 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3472 1.9188 2.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2429 1.6816 -0.3796 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2922 6.3002 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4715 3.8503 0.1451 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2402 3.5184 -0.3807 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0719 5.9692 -0.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0940 8.1020 0.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8556 8.2399 0.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1786 7.8981 -2.2005 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4170 7.7602 -2.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8017 9.7105 -3.9874 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3856 11.2395 -3.2878 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4981 9.8621 -3.4701 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5386 9.8306 -0.5161 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7082 11.2217 -1.6136 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0260 9.6916 -2.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 -5.0659 1.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9360 -5.7506 -0.8582 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8823 -6.3284 0.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1212 -1.5997 -0.3944 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5484 -3.3980 -1.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 23 2 0 0 0 0 21 27 2 0 0 0 0 21 26 1 0 0 0 0 22 26 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 24 25 1 0 0 0 0 24 28 2 0 0 0 0 24 46 1 0 0 0 0 25 26 2 0 0 0 0 25 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 M END > (6) 6 > (6) C21H21ClN6 > (6) 392.88464 > (6) CDK1 > (6) 9h > (6) PMID:17317182 > (6) 0.781 > (6) 2007 $$$$ Wcorina 06010715083D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 59 63 0 0 0 0 0 0 0 0999 V2000 0.3694 1.5328 1.8018 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2234 0.1594 1.8698 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2029 -0.6453 1.2744 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2353 -0.0613 0.6666 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3345 1.2578 0.6257 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4225 2.0428 1.1806 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4208 1.8333 -0.0143 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4836 3.2208 -0.1737 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7674 5.2437 -0.2764 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7087 3.8730 -0.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3218 3.9495 -0.3938 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3874 5.3200 -0.5513 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6082 5.9668 -0.4901 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6759 7.4625 -0.6619 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8549 7.7980 -2.1439 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9210 9.2559 -2.3114 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1412 -0.5504 2.6747 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0936 -2.1194 1.3197 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2265 -3.0468 0.1837 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8254 -4.1972 2.0675 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8570 -2.8820 2.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3612 -5.2573 -1.4764 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1169 -5.4373 -0.1325 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0465 -4.3356 0.7137 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4729 -2.8802 -1.1776 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5388 -3.9842 -1.9987 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8457 11.1516 -3.8587 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8543 9.6264 -3.7319 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1314 9.8038 -1.6835 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1229 11.3290 -1.8103 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0562 11.6995 -3.2309 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1222 13.1574 -3.3983 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3696 2.1828 2.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1374 1.2734 -0.3517 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 5.7515 -0.2329 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6144 3.3089 0.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3681 3.4449 -0.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4845 5.8871 -0.7228 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7528 7.9124 -0.2964 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5206 7.8553 -0.0959 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7780 7.3481 -2.5094 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0103 7.4051 -2.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6698 -4.9315 2.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7151 -2.5023 3.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4155 -6.1156 -2.1297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9802 -6.4328 0.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6111 -1.8904 -1.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7300 -3.8582 -3.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8255 11.4288 -4.9127 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9637 11.5531 -3.3598 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7218 9.2229 -4.2541 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9434 9.2198 -4.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1517 9.5267 -0.6295 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0135 9.4024 -2.1824 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2554 11.7325 -1.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0338 11.7356 -1.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2494 13.6164 -2.9341 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0275 13.5370 -2.9245 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1389 13.4007 -4.4607 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 33 1 0 0 0 0 2 3 2 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 9 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 13 2 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 18 19 1 0 0 0 0 18 21 2 0 0 0 0 19 25 2 0 0 0 0 19 24 1 0 0 0 0 20 24 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 26 2 0 0 0 0 22 45 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 27 31 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 30 31 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 31 32 1 0 0 0 0 32 57 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 M END > (7) 7 > (7) C25H27ClN6 > (7) 446.97508 > (7) CDK1 > (7) 9i > (7) PMID:17317182 > (7) 0.18 > (7) 2007 $$$$ Wcorina 06010715083D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 54 58 0 0 0 0 0 0 0 0999 V2000 0.4645 1.3846 1.7492 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4811 0.0003 1.7438 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5492 -0.6502 1.1169 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5071 0.0816 0.5507 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4513 1.4034 0.5795 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4517 2.0462 1.1660 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4650 2.1348 -0.0191 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 3.5269 -0.1032 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4069 5.6875 -0.0844 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5075 4.3127 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1288 4.1269 -0.2956 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0353 5.5022 -0.3788 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1724 6.2819 -0.2712 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0665 7.7824 -0.3629 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2110 8.2155 -1.8232 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1078 9.6782 -1.9126 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7929 -0.9067 2.4973 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6140 -2.1301 1.0839 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1976 -4.1607 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7251 -4.8968 1.0444 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1955 -4.2338 2.1557 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 -2.8718 2.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1381 -2.7740 -0.0308 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6482 -5.0700 -0.9909 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4784 -6.3419 -0.5188 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9256 -6.3066 0.7051 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4767 10.1526 -3.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7327 10.1315 -1.6141 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5209 11.3730 -2.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2782 10.9571 -3.8045 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3472 1.9190 2.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2427 1.6808 -0.3796 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2935 6.2990 -0.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4719 3.8491 0.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2405 3.5185 -0.3805 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0731 5.9694 -0.5284 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0960 8.1020 0.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8576 8.2394 0.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1815 7.8959 -2.2026 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4200 7.7585 -2.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8333 -4.8000 3.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7327 -2.3619 3.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4970 -2.1984 -0.8712 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0289 -4.8419 -1.8534 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7483 -7.2419 -1.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6766 -7.1573 1.3221 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3566 10.7931 -3.1983 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6790 9.3016 -3.9094 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0132 9.3524 -1.8658 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6434 10.4064 -0.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4619 11.5317 -2.7195 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9684 12.2610 -2.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6206 11.8359 -4.3509 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6487 10.3303 -4.4362 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 9 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 18 22 1 0 0 0 0 18 23 2 0 0 0 0 19 23 1 0 0 0 0 19 24 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 26 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 27 30 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 M END > (8) 8 > (8) C24H24ClN5 > (8) 417.93386 > (8) CDK1 > (8) 9j > (8) PMID:17317182 > (8) 1.54 > (8) 2007 $$$$ Wcorina 06010715083D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 62 66 0 0 0 0 0 0 0 0999 V2000 0.4645 1.3846 1.7492 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4811 0.0003 1.7438 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5492 -0.6502 1.1169 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5071 0.0816 0.5507 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4513 1.4034 0.5795 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4517 2.0462 1.1660 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4650 2.1348 -0.0191 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 3.5269 -0.1032 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4069 5.6875 -0.0844 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5075 4.3127 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1288 4.1269 -0.2956 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0353 5.5022 -0.3788 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1724 6.2819 -0.2712 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0665 7.7824 -0.3629 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2110 8.2155 -1.8232 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1078 9.6782 -1.9126 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7929 -0.9067 2.4973 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6140 -2.1301 1.0839 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1976 -4.1607 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7251 -4.8968 1.0444 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1955 -4.2338 2.1557 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 -2.8718 2.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1381 -2.7740 -0.0308 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6482 -5.0700 -0.9909 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4784 -6.3419 -0.5188 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9256 -6.3066 0.7051 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8187 11.6328 -3.3581 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0040 10.1142 -3.3121 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2440 10.3281 -1.2444 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0588 11.8466 -1.2904 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9549 12.2827 -2.6899 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8517 13.7453 -2.7793 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1593 14.3791 -2.3002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3472 1.9190 2.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2427 1.6808 -0.3796 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2935 6.2990 -0.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4719 3.8491 0.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2405 3.5185 -0.3805 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0731 5.9694 -0.5284 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0960 8.1020 0.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8576 8.2394 0.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1815 7.8959 -2.2026 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4200 7.7585 -2.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8333 -4.8000 3.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7327 -2.3619 3.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4970 -2.1984 -0.8712 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0289 -4.8419 -1.8534 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7483 -7.2419 -1.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6766 -7.1573 1.3221 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7705 11.9620 -4.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8941 11.9020 -2.8475 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9145 9.8426 -3.8462 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1482 9.6291 -3.7816 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2923 9.9989 -0.2064 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1686 10.0589 -1.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1482 12.1183 -0.7563 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9146 12.3317 -0.8209 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6658 14.0339 -3.8138 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0296 14.0906 -2.1524 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3452 14.0905 -1.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9815 14.0338 -2.9271 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0828 15.4643 -2.3665 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 34 1 0 0 0 0 2 3 2 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 9 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 12 13 2 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 18 22 1 0 0 0 0 18 23 2 0 0 0 0 19 23 1 0 0 0 0 19 24 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 26 1 0 0 0 0 21 22 2 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 31 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 30 31 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 M END > (9) 9 > (9) C26H29ClN6 > (9) 461.00166 > (9) CDK1 > (9) 9k > (9) PMID:17317182 > (9) 1.24 > (9) 2007 $$$$ Wcorina 06010715083D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 62 65 0 0 0 0 0 0 0 0999 V2000 -0.1362 1.3769 0.0829 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1413 -0.0031 0.0921 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0526 -0.7018 0.0941 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2576 -0.0226 0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2749 1.3573 0.0783 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 2.0667 0.0757 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0871 3.5495 0.0654 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0507 5.6401 0.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0810 4.2564 0.7495 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1552 4.2283 -0.5997 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1639 5.5518 -0.6103 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0900 6.2477 0.0328 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3230 3.4188 1.6268 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.8214 6.2275 -1.3130 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 7.6213 -1.2385 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0404 -2.2087 0.1046 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1646 -2.6934 -0.5817 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2837 -2.7338 -0.6159 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0396 -2.7086 1.5507 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3839 9.7323 -2.2756 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3039 8.3551 -2.3483 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5865 8.2728 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6678 9.6568 0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0648 10.3849 -1.1003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3514 10.3169 1.2047 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6445 9.7205 2.4337 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2085 9.4726 4.7788 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0839 10.0641 3.5657 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6689 8.7868 2.5277 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9560 8.1992 3.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2251 8.5393 4.8677 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5409 7.8956 6.1932 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5902 8.7315 6.9289 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8897 8.1211 8.1858 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0689 1.9214 0.0768 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0792 -0.5386 0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1867 -0.5732 0.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2163 1.8866 0.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8030 6.2172 1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4549 5.7334 -1.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9991 -2.4138 -0.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1876 -2.3764 -1.5393 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1778 -2.3742 -0.1067 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2749 -3.8238 -0.6083 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2843 -2.3777 -1.6461 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1538 -2.3345 2.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0308 -3.7986 1.5583 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9337 -2.3490 2.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6961 10.3002 -3.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5536 7.8481 -3.2686 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2785 7.7045 0.8103 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1281 11.4618 -1.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0718 11.1893 1.1777 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3576 9.7390 5.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8782 10.7927 3.4969 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2403 8.5210 1.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7524 7.4735 3.8179 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9289 6.8908 6.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6339 7.8393 6.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2022 9.7363 7.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4972 8.7878 6.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5492 8.5984 8.7076 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 35 1 0 0 0 0 2 3 2 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 16 1 0 0 0 0 4 5 2 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 8 39 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 21 1 0 0 0 0 15 22 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 20 49 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 26 28 1 0 0 0 0 26 29 2 0 0 0 0 27 28 2 0 0 0 0 27 31 1 0 0 0 0 27 54 1 0 0 0 0 28 55 1 0 0 0 0 29 30 1 0 0 0 0 29 56 1 0 0 0 0 30 31 2 0 0 0 0 30 57 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 33 34 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 34 62 1 0 0 0 0 M END > (10) 10 > (10) C27H28ClN5O > (10) 473.99712 > (10) CDK1 > (10) 6b > (10) PMID:17317182 > (10) 0.687 > (10) 2007 $$$$