Darexaban glucuronide
HIT212712461
sdf文件结构编辑类似物检索
HIT ID: HIT212712461
Cas No: 432029-12-4
分子式: C33H38N4O10
分子量: 650.685
常用名: Darexaban glucuronide
氢键受体数 (HBA): 12
氢键供体数 (HBD): 6
LogP: -0.9683697
IUPAC: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-(4-methoxybenzamido)-2-[4-(4-methyl-1,4-diazepan-1-yl)benzamido]phenoxy]oxane-2-carboxylic acid
IUPAC: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-(4-methoxybenzamido)-2-[4-(4-methyl-1,4-diazepan-1-yl)benzamido]phenoxy]oxane-2-carboxylic acid
SMILES: COc1ccc(cc1)C(=O)Nc1cccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)c1NC(=O)c1ccc(cc1)N1CCCN(C)CC1
SMILES: COc1ccc(cc1)C(=O)Nc1cccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)c1NC(=O)c1ccc(cc1)N1CCCN(C)CC1
InChI key: IOUMBCGOXOKZAE-CLIYFGAVSA-N
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