Edoxaban Isomer
HIT212004556
sdf文件结构编辑类似物检索
HIT ID: HIT212004556
Cas No: 1255529-24-8
分子式: C24H30ClN7O4S
分子量: 548.06
常用名: Edoxaban Isomer
氢键受体数 (HBA): 7
氢键供体数 (HBD): 3
LogP: 0.90165955
IUPAC: N'-(5-chloropyridin-2-yl)-N-[(1R,2R,4R)-4-(dimethylcarbamoyl)-2-{5-methyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine-2-amido}cyclohexyl]ethanediamide
IUPAC: N'-(5-chloropyridin-2-yl)-N-[(1R,2R,4R)-4-(dimethylcarbamoyl)-2-{5-methyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine-2-amido}cyclohexyl]ethanediamide
SMILES: CN(C)C(=O)[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1
SMILES: CN(C)C(=O)[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1
InChI key: HGVDHZBSSITLCT-FRFSOERESA-N
共显示2个结果
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