Name: CDK-IN-15
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218929731
Cas No:3036232-03-5
常用名:CDK-IN-15
IUPAC:(2S)-3-cyclobutyl-N-[(6S,9S,12S)-6-[(2,5-dichlorophenyl)methyl]-9-(2-methylpropyl)-5,8,11,18-tetraoxo-7-propyl-4,7,10,17-tetraazaspiro[2.15]octadecan-12-yl]-2-{[(2S,4R)-4-fluoro-1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]pyrrolidin-2-yl]formamido}-N-methylpropanamide
IUPAC:(2S)-3-cyclobutyl-N-[(6S,9S,12S)-6-[(2,5-dichlorophenyl)methyl]-9-(2-methylpropyl)-5,8,11,18-tetraoxo-7-propyl-4,7,10,17-tetraazaspiro[2.15]octadecan-12-yl]-2-{[(2S,4R)-4-fluoro-1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]pyrrolidin-2-yl]formamido}-N-methylpropanamide
InChI key:QIOIIAFJFSAFSP-KQFAQYJPSA-N

分子式:C45H63Cl2F4N7O8
分子量:976.93
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCCN1[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)NC2(CC2)C(=O)NCCCC[C@H](N(C)C(=O)[C@H](CC2CCC2)NC(=O)[C@@H]2C[C@@H](F)CN2C(=O)[C@@](C)(O)C(F)(F)F)C(=O)N[C@@H](CC(C)C)C1=O
SMILES:CCCN1[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)NC2(CC2)C(=O)NCCCC[C@H](N(C)C(=O)[C@H](CC2CCC2)NC(=O)[C@@H]2C[C@@H](F)CN2C(=O)[C@@](C)(O)C(F)(F)F)C(=O)N[C@@H](CC(C)C)C1=O

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