CP-532623
HIT212708459
sdf文件结构编辑类似物检索
HIT ID: HIT212708459
Cas No: 261947-38-0
分子式: C27H27F9N2O3
分子量: 598.51
常用名: CP-532623
氢键受体数 (HBA): 3
氢键供体数 (HBD): 0
LogP: 6.881305
IUPAC: propan-2-yl (2R,4S)-4-(N-{[3,5-bis(trifluoromethyl)phenyl]methyl}acetamido)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-1-carboxylate
IUPAC: propan-2-yl (2R,4S)-4-(N-{[3,5-bis(trifluoromethyl)phenyl]methyl}acetamido)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-1-carboxylate
SMILES: CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(C)=O)c2cc(ccc2N1C(=O)OC(C)C)C(F)(F)F
SMILES: CC[C@@H]1C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(C)=O)c2cc(ccc2N1C(=O)OC(C)C)C(F)(F)F
InChI key: TUPKOWFPVAXQFP-OFNKIYASSA-N
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