JAK3/BTK-IN-6
HIT214437910
sdf文件结构编辑类似物检索
HIT ID: HIT214437910
Cas No: 2243136-03-8
分子式: C21H17BF3N5O3
分子量: 455.2
常用名: JAK3/BTK-IN-6
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: N-[3-({2-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)phenyl]prop-2-enamide
IUPAC: N-[3-({2-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)phenyl]prop-2-enamide
SMILES: OB1OCc2cc(Nc3ncc(c(Nc4cccc(NC(=O)C=C)c4)n3)C(F)(F)F)ccc12
SMILES: OB1OCc2cc(Nc3ncc(c(Nc4cccc(NC(=O)C=C)c4)n3)C(F)(F)F)ccc12
InChI key: CATGYHXLDRQPGZ-UHFFFAOYSA-N
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