Name: BIIB091
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214323245
Cas No:2247614-80-6
常用名:BIIB091
IUPAC:1-tert-butyl-N-[(5R)-8-{2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-2-(oxetan-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl]-1H-1,2,3-triazole-4-carboxamide
IUPAC:1-tert-butyl-N-[(5R)-8-{2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-2-(oxetan-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl]-1H-1,2,3-triazole-4-carboxamide
InChI key:JSAQBOQCZJHWMA-XMMPIXPASA-N

分子式:C28H34N10O2
分子量:542.648
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)C2COC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1
SMILES:Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)C2COC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1

BIIB091 is a highly selective, reversible BTK inhibitor for treating autoimmune diseases.

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