Marvin 08010715582D 39 43 0 0 0 0 999 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8578 0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5723 -0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8578 -0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5723 0.4124 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4288 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1433 0.4126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8577 0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2867 0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5722 0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8577 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2867 1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0010 2.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5722 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5721 2.8875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8577 3.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4287 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4286 4.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1431 4.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1431 5.3624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8575 5.7749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4286 5.7749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4286 6.5998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1430 7.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1433 2.8875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8576 4.1249 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8575 6.5999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7157 0.8249 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 1 5 2 0 0 0 0 5 7 1 0 0 0 0 6 2 2 0 0 0 0 4 6 1 0 0 0 0 6 15 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 8 11 1 0 0 0 0 13 9 1 0 0 0 0 9 10 1 0 0 0 0 10 12 1 0 0 0 0 12 11 1 0 0 0 0 13 37 1 0 0 0 0 15 14 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 19 1 0 0 0 0 20 17 2 0 0 0 0 18 21 1 0 0 0 0 19 18 2 0 0 0 0 23 20 1 0 0 0 0 21 22 1 0 0 0 0 23 21 2 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 34 2 0 0 0 0 25 35 1 0 0 0 0 34 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 35 2 0 0 0 0 28 29 1 0 0 0 0 30 29 2 0 0 0 0 29 31 1 0 0 0 0 30 36 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 36 2 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 M END > CHEBI:39083 > linkable imatinib analogue > An analogue of imatinib where the piperidine N-methyl group is replaced by 2-aminoethyl. > 3 > 4-{[4-(2-aminoethyl)piperazin-1-yl]methyl}-N-{4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl}benzamide > C30H34N8O > 522.64428 > 522.28556 > 0 > Cc1ccc(NC(=O)c2ccc(CN3CCN(CCN)CC3)cc2)cc1Nc1nccc(n1)-c1cccnc1 > InChI=1S/C30H34N8O/c1-22-4-9-26(19-28(22)36-30-33-13-10-27(35-30)25-3-2-12-32-20-25)34-29(39)24-7-5-23(6-8-24)21-38-17-15-37(14-11-31)16-18-38/h2-10,12-13,19-20H,11,14-18,21,31H2,1H3,(H,34,39)(H,33,35,36) > GYQHZALGPJRESJ-UHFFFAOYSA-N $$$$