Siremadlin (R Enantiomer)
HIT212666320
sdf文件结构编辑类似物检索
HIT ID: HIT212666320
Cas No: 1448867-42-2
分子式: C26H24Cl2N6O4
分子量: 555.42
常用名: Siremadlin (R Enantiomer)
氢键受体数 (HBA): 7
氢键供体数 (HBD): 0
LogP: 4.14494
IUPAC: 5-chloro-3-[(6R)-6-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-4-oxo-1-(propan-2-yl)-1H,4H,5H,6H-pyrrolo[3,4-d]imidazol-5-yl]-1-methyl-1,2-dihydropyridin-2-one
IUPAC: 5-chloro-3-[(6R)-6-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-4-oxo-1-(propan-2-yl)-1H,4H,5H,6H-pyrrolo[3,4-d]imidazol-5-yl]-1-methyl-1,2-dihydropyridin-2-one
SMILES: COc1ncc(-c2nc3C(=O)N([C@@H](c3n2C(C)C)c2ccc(Cl)cc2)c2cc(Cl)cn(C)c2=O)c(OC)n1
SMILES: COc1ncc(-c2nc3C(=O)N([C@@H](c3n2C(C)C)c2ccc(Cl)cc2)c2cc(Cl)cn(C)c2=O)c(OC)n1
InChI key: AGBSXNCBIWWLHD-HXUWFJFHSA-N
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