Name: PDD00031705
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212666438
Cas No:2032096-45-8
常用名:PDD00031705
IUPAC:1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyl-N-(1-methylcyclopropyl)-2-oxo-3-(1,2,4-thiadiazol-5-yl)-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide
IUPAC:1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyl-N-(1-methylcyclopropyl)-2-oxo-3-(1,2,4-thiadiazol-5-yl)-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide
InChI key:KWGUETFSHQZXMA-UHFFFAOYSA-N

分子式:C20H22N6O3S3
分子量:490.62
氢键供体数 (HBD):0
氢键受体数 (HBA):6
LogP:2.5070796
SMILES:CN(C1(C)CC1)S(=O)(=O)c1ccc2n(Cc3sc(C)nc3C)c(=O)n(-c3ncns3)c2c1
SMILES:CN(C1(C)CC1)S(=O)(=O)c1ccc2n(Cc3sc(C)nc3C)c(=O)n(-c3ncns3)c2c1

PDD00031705 is a benzimidazolone core cell-inactive Poly (ADP-ribose) glycohydrolase (PARG) inhibitor.

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