Name: BTK inhibitor 19
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214323570
Cas No:2557174-19-1
常用名:BTK inhibitor 19
IUPAC:1-amino-2-[(2S)-1-(prop-2-enoyl)piperidin-2-yl]-4-(4-{[4-(trifluoromethyl)pyridin-2-yl]carbamoyl}phenyl)-1H-imidazole-5-carboxamide
IUPAC:1-amino-2-[(2S)-1-(prop-2-enoyl)piperidin-2-yl]-4-(4-{[4-(trifluoromethyl)pyridin-2-yl]carbamoyl}phenyl)-1H-imidazole-5-carboxamide
InChI key:WIZIQUFUGUEWKY-KRWDZBQOSA-N

分子式:C25H24F3N7O3
分子量:527.508
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:NC(=O)c1c(nc([C@@H]2CCCCN2C(=O)C=C)n1N)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F
SMILES:NC(=O)c1c(nc([C@@H]2CCCCN2C(=O)C=C)n1N)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F

BTK inhibitor 19 is a highly selective, covalent BTK inhibitor ( IC 50 = 2.7 nM).

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