N-Desmethyl imatinib-d8
HIT212666175
sdf文件结构编辑类似物检索
HIT ID: HIT212666175
Cas No: 1185103-28-9
分子式: C28H29N7O
分子量: 487.637
常用名: N-Desmethyl imatinib-d8
氢键受体数 (HBA): 7
氢键供体数 (HBD): 3
LogP: 3.994625
IUPAC: N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)-4-{[(2,2,3,3,5,5,6,6-2H8)piperazin-1-yl]methyl}benzamide
IUPAC: N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)-4-{[(2,2,3,3,5,5,6,6-2H8)piperazin-1-yl]methyl}benzamide
SMILES: [2H]C1([2H])NC([2H])([2H])C([2H])([2H])N(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)C1([2H])[2H]
SMILES: [2H]C1([2H])NC([2H])([2H])C([2H])([2H])N(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)C1([2H])[2H]
InChI key: BQQYXPHRXIZMDM-DBVREXLBSA-N
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