163-BP3
HIT212714115
sdf文件结构编辑类似物检索
HIT ID: HIT212714115
Cas No:
分子式: C28H25F3N2O5S
分子量: 558.57
常用名: 163-BP3
氢键受体数 (HBA): 5
氢键供体数 (HBD): 1
LogP: 4.677924
IUPAC: (2R)-5,5,5-trifluoro-2-[N-({4-[4-(prop-2-yn-1-yloxy)benzoyl]phenyl}methyl)benzenesulfonamido]pentanamide
IUPAC: (2R)-5,5,5-trifluoro-2-[N-({4-[4-(prop-2-yn-1-yloxy)benzoyl]phenyl}methyl)benzenesulfonamido]pentanamide
SMILES: NC(=O)[C@@H](CCC(F)(F)F)N(Cc1ccc(cc1)C(=O)c1ccc(OCC#C)cc1)S(=O)(=O)c1ccccc1
SMILES: NC(=O)[C@@H](CCC(F)(F)F)N(Cc1ccc(cc1)C(=O)c1ccc(OCC#C)cc1)S(=O)(=O)c1ccccc1
InChI key: ITJWFVOVZQGYOY-RUZDIDTESA-N
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