TAK-960 monohydrochloride
HIT214323059
sdf文件结构编辑类似物检索
HIT ID: HIT214323059
Cas No: 2108449-45-0
分子式: C27H35ClF3N7O3
分子量: 598.07
常用名: TAK-960 monohydrochloride
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 4-({9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-5H,6H,7H,8H,9H-pyrimido[4,5-b][1,4]diazepin-2-yl}amino)-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide hydrochloride
IUPAC: 4-({9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-5H,6H,7H,8H,9H-pyrimido[4,5-b][1,4]diazepin-2-yl}amino)-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide hydrochloride
SMILES: Cl.COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc2N(C)C(=O)C(F)(F)CN(C3CCCC3)c2n1
SMILES: Cl.COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc2N(C)C(=O)C(F)(F)CN(C3CCCC3)c2n1
InChI key: QZBHDFGFNVMONB-UHFFFAOYSA-N
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