Name: Tilpisertib fosmecarbil
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218964009
Cas No:2567459-64-5
常用名:Tilpisertib fosmecarbil
IUPAC:[({[(S)-(1-{bicyclo[1.1.1]pentan-1-yl}-1H-1,2,3-triazol-4-yl)(2-methyl-1-oxo-1,2-dihydroisoquinolin-5-yl)methyl]({8-chloro-3-cyano-4-[(2,2-dimethylpropyl)amino]quinolin-6-yl})carbamoyl}oxy)methoxy]phosphonic acid
IUPAC:[({[(S)-(1-{bicyclo[1.1.1]pentan-1-yl}-1H-1,2,3-triazol-4-yl)(2-methyl-1-oxo-1,2-dihydroisoquinolin-5-yl)methyl]({8-chloro-3-cyano-4-[(2,2-dimethylpropyl)amino]quinolin-6-yl})carbamoyl}oxy)methoxy]phosphonic acid
InChI key:FPQIBCPWXJSFOQ-ILNPBIMBSA-N

分子式:C35H36ClN8O7P
分子量:747.15
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cn1ccc2c(cccc2c1=O)[C@H](N(C(=O)OCOP(O)(O)=O)c1cc(Cl)c2ncc(C#N)c(NCC(C)(C)C)c2c1)c1cn(nn1)C12CC(C1)C2
SMILES:Cn1ccc2c(cccc2c1=O)[C@H](N(C(=O)OCOP(O)(O)=O)c1cc(Cl)c2ncc(C#N)c(NCC(C)(C)C)c2c1)c1cn(nn1)C12CC(C1)C2

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