Name: GDC-0834 S-enantiomer
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212670925
Cas No:1133432-50-4
常用名:GDC-0834 S-enantiomer
IUPAC:N-{3-[6-({4-[(2S)-1,4-dimethyl-3-oxopiperazin-2-yl]phenyl}amino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl]-2-methylphenyl}-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
IUPAC:N-{3-[6-({4-[(2S)-1,4-dimethyl-3-oxopiperazin-2-yl]phenyl}amino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl]-2-methylphenyl}-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
InChI key:CDOOFZZILLRUQH-LJAQVGFWSA-N

分子式:C33H36N6O3S
分子量:596.75
氢键供体数 (HBD):2
氢键受体数 (HBA):6
LogP:4.735044
SMILES:CN1CCN(C)C(=O)[C@@H]1c1ccc(Nc2nc(cn(C)c2=O)-c2cccc(NC(=O)c3cc4CCCCc4s3)c2C)cc1
SMILES:CN1CCN(C)C(=O)[C@@H]1c1ccc(Nc2nc(cn(C)c2=O)-c2cccc(NC(=O)c3cc4CCCCc4s3)c2C)cc1

GDC-0834, the S-enantiomer, is a potent and selective inhibitor of Bruton's tyrosine kinase (BTK).

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