Lumiracoxib acyl-β-D-glucuronide
HIT219586193
sdf文件结构编辑类似物检索
HIT ID: HIT219586193
Cas No: 697287-17-5
分子式: C21H21ClFNO8
分子量: 469.85
常用名: Lumiracoxib acyl-β-D-glucuronide
常用名: Lumiracoxib acyl-β-D-glucuronide
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S,3R,4S,5R,6S)-6-[(2-{2-[(2-chloro-6-fluorophenyl)amino]-5-methylphenyl}acetyl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
IUPAC: (2S,3R,4S,5R,6S)-6-[(2-{2-[(2-chloro-6-fluorophenyl)amino]-5-methylphenyl}acetyl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
SMILES: Cc1ccc(Nc2c(F)cccc2Cl)c(CC(=O)O[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)C(O)=O)c1
SMILES: Cc1ccc(Nc2c(F)cccc2Cl)c(CC(=O)O[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)C(O)=O)c1
InChI key: GEVZOJTWMGGTTK-KWLWEVDOSA-N
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