RXFP1 receptor agonist-3
HIT217583387
sdf文件结构编辑类似物检索
HIT ID: HIT217583387
Cas No: 2924767-53-1
分子式: C42H34F9N3O5
分子量: 831.736
常用名: RXFP1 receptor agonist-3
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 1-(3'-{[(1R,2R,3S,4R)-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)-2,2,2-trifluoroethyl N-(2-fluorophenyl)carbamate
IUPAC: 1-(3'-{[(1R,2R,3S,4R)-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)-2,2,2-trifluoroethyl N-(2-fluorophenyl)carbamate
SMILES: [H][C@]12CC[C@]([H])([C@@H]([C@@H]1NC(=O)c1cc(ccc1OC)-c1cc(ccc1F)C(OC(=O)Nc1ccccc1F)C(F)(F)F)C(=O)Nc1ccc(F)c(c1)C(F)(F)F)C2=CC1CC1
SMILES: [H][C@]12CC[C@]([H])([C@@H]([C@@H]1NC(=O)c1cc(ccc1OC)-c1cc(ccc1F)C(OC(=O)Nc1ccccc1F)C(F)(F)F)C(=O)Nc1ccc(F)c(c1)C(F)(F)F)C2=CC1CC1
InChI key: QAOVIAXQPCBOMZ-CORZIRGNSA-N
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