Name: CETP-IN-4
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214322727
Cas No:1648889-70-6
常用名:CETP-IN-4
IUPAC:4-(5-{2-[(1R,5S,7aS)-1-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-3-oxo-hexahydro-1H-pyrrolo[1,2-c]imidazol-5-yl]-4-(trifluoromethyl)phenyl}-6-methoxypyridin-3-yl)-3-methylbenzoic acid
IUPAC:4-(5-{2-[(1R,5S,7aS)-1-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-3-oxo-hexahydro-1H-pyrrolo[1,2-c]imidazol-5-yl]-4-(trifluoromethyl)phenyl}-6-methoxypyridin-3-yl)-3-methylbenzoic acid
InChI key:WOQPQGXRTGWZQF-OIFRRMEBSA-N

分子式:C36H28F9N3O4
分子量:737.623
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CC[C@H](N1C(=O)N(C)[C@@H]2c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(ccc1-c1cc(cnc1OC)-c1ccc(cc1C)C(O)=O)C(F)(F)F
SMILES:[H][C@@]12CC[C@H](N1C(=O)N(C)[C@@H]2c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(ccc1-c1cc(cnc1OC)-c1ccc(cc1C)C(O)=O)C(F)(F)F

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