L 686741
HIT212716690
sdf文件结构编辑类似物检索
HIT ID: HIT212716690
Cas No: 133768-71-5
分子式: C31H30Cl2N2O4S
分子量: 597.55
常用名: L 686741
氢键受体数 (HBA): 5
氢键供体数 (HBD): 1
LogP: 7.0551076
IUPAC: 3-({3-[4-chloro-2-(dimethylcarbamoyl)phenyl]-1-{3-[(7-chloroquinolin-2-yl)methoxy]phenyl}propyl}sulfanyl)propanoic acid
IUPAC: 3-({3-[4-chloro-2-(dimethylcarbamoyl)phenyl]-1-{3-[(7-chloroquinolin-2-yl)methoxy]phenyl}propyl}sulfanyl)propanoic acid
SMILES: CN(C)C(=O)c1cc(Cl)ccc1CCC(SCCC(O)=O)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1
SMILES: CN(C)C(=O)c1cc(Cl)ccc1CCC(SCCC(O)=O)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1
InChI key: KOEUMOZAMCRIGA-UHFFFAOYSA-N
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