SARS-CoV-2 3CLpro-IN-28
HIT219250904
sdf文件结构编辑类似物检索
HIT ID: HIT219250904
Cas No: 2603242-35-7
分子式: C27H18Cl2N4O4
分子量: 533.37
常用名: SARS-CoV-2 3CLpro-IN-28
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 5-(3-{3-chloro-5-[(2-chlorophenyl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
IUPAC: 5-(3-{3-chloro-5-[(2-chlorophenyl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
SMILES: Clc1cc(OCc2ccccc2Cl)cc(c1)-c1cc(cn(-c2cccnc2)c1=O)-c1c[nH]c(=O)[nH]c1=O
SMILES: Clc1cc(OCc2ccccc2Cl)cc(c1)-c1cc(cn(-c2cccnc2)c1=O)-c1c[nH]c(=O)[nH]c1=O
InChI key: NFXZAFCZOMISJH-UHFFFAOYSA-N
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