S55746
HIT212673098
sdf文件结构编辑类似物检索
HIT ID: HIT212673098
Cas No: 1448584-12-0
分子式: C43H42N4O6
分子量: 710.831
常用名: S55746
氢键受体数 (HBA): 7
氢键供体数 (HBD): 1
LogP: 6.3929944
IUPAC: N-(4-hydroxyphenyl)-3-{6-[(3S)-3-[(morpholin-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-2-carbonyl]-2H-1,3-benzodioxol-5-yl}-N-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide
IUPAC: N-(4-hydroxyphenyl)-3-{6-[(3S)-3-[(morpholin-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-2-carbonyl]-2H-1,3-benzodioxol-5-yl}-N-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide
SMILES: Oc1ccc(cc1)N(C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccccc1
SMILES: Oc1ccc(cc1)N(C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccccc1
InChI key: VYXJULKGMXJVGI-XIFFEERXSA-N
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