null CDK 0224162149 null 37 41 0 0 0 0 0 0 0 0999 V2000 2.2849 3.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7329 2.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1198 3.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1809 2.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4358 1.3672 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 0.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0768 0.9256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1781 1.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3739 2.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -0.0305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 0.1271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -1.1104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 -2.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6538 -0.6979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1712 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5837 -1.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4087 -1.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 0.1271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4957 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2102 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2102 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4957 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9246 -1.5229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6391 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3536 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3536 -2.3479 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6391 -2.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9246 -2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0681 -2.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3460 2.2129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 6 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 10 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 13 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 24 1 0 0 0 0 27 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 30 1 0 0 0 0 33 36 1 0 0 0 0 2 37 1 0 0 0 0 M END > CHEBI:91414 > 1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[4-(4-methyl-1-piperazinyl)anilino]-2-prop-2-enyl-3-pyrazolo[3,4-d]pyrimidinone > 2 > C27H32N8O2 > 500.596 > 500.26482 > 0 > CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O > InChI=1S/C27H32N8O2/c1-5-13-34-25(36)21-18-28-26(29-19-9-11-20(12-10-19)33-16-14-32(4)15-17-33)31-24(21)35(34)23-8-6-7-22(30-23)27(2,3)37/h5-12,18,37H,1,13-17H2,2-4H3,(H,28,29,31) > BKWJAKQVGHWELA-UHFFFAOYSA-N > LSM-1153 $$$$