null CDK 0224162149 null 33 37 0 0 0 0 0 0 0 0999 V2000 -4.0866 13.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7511 12.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9441 12.4981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 11.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6116 11.3421 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1636 11.9552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 11.2651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 10.4401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 10.0276 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 9.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 8.7901 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 9.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 10.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 8.7901 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 7.9651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 7.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 7.9651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 8.7901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 9.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 7.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 8.7901 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 7.9651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.7276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 6.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 6.7276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 7.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 5.4901 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 5.4901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 3.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 3.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 2 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 14 1 0 0 0 0 17 20 1 0 0 0 0 10 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 22 1 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 31 1 0 0 0 0 M END > CHEBI:91336 > N-[4-[[4-(4-methyl-1-piperazinyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]thio]phenyl]cyclopropanecarboxamide > 2 > C23H28N8OS > 464.588 > 464.21068 > 0 > CC1=CC(=NN1)NC2=NC(=NC(=C2)N3CCN(CC3)C)SC4=CC=C(C=C4)NC(=O)C5CC5 > InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29) > GCIKSSRWRFVXBI-UHFFFAOYSA-N > LSM-1021 $$$$