PDE4-IN-4
HIT214322783
sdf文件结构编辑类似物检索
HIT ID: HIT214322783
Cas No: 1793069-00-7
分子式: C36H37Cl2N3O7S
分子量: 726.67
常用名: PDE4-IN-4
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1S)-2-(3,5-dichloro-1-oxo-1lambda5-pyridin-4-yl)-1-(3,4-dimethoxyphenyl)ethyl 5-({[(1R)-2-[(3R)-1-azabicyclo[2.2.2]octan-3-yloxy]-2-oxo-1-phenylethyl]amino}methyl)thiophene-2-carboxylate
IUPAC: (1S)-2-(3,5-dichloro-1-oxo-1lambda5-pyridin-4-yl)-1-(3,4-dimethoxyphenyl)ethyl 5-({[(1R)-2-[(3R)-1-azabicyclo[2.2.2]octan-3-yloxy]-2-oxo-1-phenylethyl]amino}methyl)thiophene-2-carboxylate
SMILES: COc1ccc(cc1OC)[C@H](Cc1c(Cl)cn(=O)cc1Cl)OC(=O)c1ccc(CN[C@@H](C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1 |THB:33:34:38.37:41.40|
SMILES: COc1ccc(cc1OC)[C@H](Cc1c(Cl)cn(=O)cc1Cl)OC(=O)c1ccc(CN[C@@H](C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1 |THB:33:34:38.37:41.40|
InChI key: OAWZSUHVKPQVIU-LEEDBYTESA-N
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