Lonitoclax
HIT219251816
sdf文件结构编辑类似物检索
HIT ID: HIT219251816
Cas No: 2952589-57-8
分子式: C43H45ClN4O5
分子量: 733.31
常用名: Lonitoclax
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 5-{5-chloro-2-[(3S)-3-[(morpholin-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-2-carbonyl]phenyl}-N-(4-hydroxyphenyl)-N-[(3-methoxy-2-methylphenyl)methyl]-1,2-dimethyl-1H-pyrrole-3-carboxamide
IUPAC: 5-{5-chloro-2-[(3S)-3-[(morpholin-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-2-carbonyl]phenyl}-N-(4-hydroxyphenyl)-N-[(3-methoxy-2-methylphenyl)methyl]-1,2-dimethyl-1H-pyrrole-3-carboxamide
SMILES: COc1cccc(CN(C(=O)c2cc(-c3cc(Cl)ccc3C(=O)N3Cc4ccccc4C[C@H]3CN3CCOCC3)n(C)c2C)c2ccc(O)cc2)c1C
SMILES: COc1cccc(CN(C(=O)c2cc(-c3cc(Cl)ccc3C(=O)N3Cc4ccccc4C[C@H]3CN3CCOCC3)n(C)c2C)c2ccc(O)cc2)c1C
InChI key: CEWHUBSABMOQQC-DHUJRADRSA-N
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