Name: RXFP1 receptor agonist-9
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT220772291
Cas No:2924765-23-9
常用名:RXFP1 receptor agonist-9
IUPAC:2-(3'-{[(1R,2R,3S,4R,7Z)-7-(cyclopropylmethylidene)-3-{[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl}bicyclo[2.2.1]heptan-2-yl]carbamoyl}-6-fluoro-4'-methoxy-[1,1'-biphenyl]-3-yl)-2-[(methylcarbamoyl)oxy]acetic acid
IUPAC:2-(3'-{[(1R,2R,3S,4R,7Z)-7-(cyclopropylmethylidene)-3-{[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl}bicyclo[2.2.1]heptan-2-yl]carbamoyl}-6-fluoro-4'-methoxy-[1,1'-biphenyl]-3-yl)-2-[(methylcarbamoyl)oxy]acetic acid
InChI key:InChIKey=GQCBAXBGSJGVJL-UBVMHNTPSA-N

分子式:C37H34F5N3O7
分子量:727.685
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12CC[C@]([H])([C@@H]([C@@H]1NC(=O)c1cc(ccc1OC)-c1cc(ccc1F)C(OC(=O)NC)C(O)=O)C(=O)Nc1ccc(F)c(c1)C(F)(F)F)\C2=C\C1CC1
SMILES:[H][C@]12CC[C@]([H])([C@@H]([C@@H]1NC(=O)c1cc(ccc1OC)-c1cc(ccc1F)C(OC(=O)NC)C(O)=O)C(=O)Nc1ccc(F)c(c1)C(F)(F)F)\C2=C\C1CC1

RXFP1 receptor agonist-9 是一种有效的RXFP1激动剂，其EC50为2.5 μM，Ymax达到65%。其显示出良好的微粒体稳定性以及出色的药物代谢特性和药效学活性。RXFP1 receptor agonist-9 可用于心力衰竭的研究。

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