Vilaprisan
HIT214320370
sdf文件结构编辑类似物检索
HIT ID: HIT214320370
Cas No: 1262108-14-4
分子式: C27H29F5O4S
分子量: 544.58
常用名: Vilaprisan
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1S,3aS,3bS,10R,11aS)-1-hydroxy-10-(4-methanesulfonylphenyl)-11a-methyl-1-(1,1,2,2,2-pentafluoroethyl)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
IUPAC: (1S,3aS,3bS,10R,11aS)-1-hydroxy-10-(4-methanesulfonylphenyl)-11a-methyl-1-(1,1,2,2,2-pentafluoroethyl)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
SMILES: [H][C@@]12CC[C@@](O)(C(F)(F)C(F)(F)F)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)S(C)(=O)=O |c:18,24|
SMILES: [H][C@@]12CC[C@@](O)(C(F)(F)C(F)(F)F)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)S(C)(=O)=O |c:18,24|
InChI key: JUFWQQVHQFDUOD-ANRPBIDPSA-N
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