HIT ID: HIT212672171
Cas No:
分子式: C31H33N7O3
分子量: 551.651
常用名: Imatinib Acid
氢键受体数 (HBA): 9
氢键供体数 (HBD): 3
LogP: 1.3598496
IUPAC: 3-[4-({4-[(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)carbamoyl]phenyl}methyl)piperazin-1-yl]propanoic acid
IUPAC: 3-[4-({4-[(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)carbamoyl]phenyl}methyl)piperazin-1-yl]propanoic acid
SMILES: Cc1ccc(NC(=O)c2ccc(CN3CCN(CCC(O)=O)CC3)cc2)cc1Nc1nccc(n1)-c1cccnc1
SMILES: Cc1ccc(NC(=O)c2ccc(CN3CCN(CCC(O)=O)CC3)cc2)cc1Nc1nccc(n1)-c1cccnc1
InChI key: UBEXHJPGGGMXHS-UHFFFAOYSA-N
