GDC-0834 S-enantiomer
HIT212670925
sdf文件结构编辑类似物检索
HIT ID: HIT212670925
Cas No: 1133432-50-4
分子式: C33H36N6O3S
分子量: 596.75
常用名: GDC-0834 S-enantiomer
氢键受体数 (HBA): 6
氢键供体数 (HBD): 2
LogP: 4.735044
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
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
InChI key: CDOOFZZILLRUQH-LJAQVGFWSA-N
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