HIT ID: HIT212653987
Cas No: 1558036-85-3
分子式: C24H25N5O3
分子量: 431.496
常用名: Btk inhibitor 2
氢键受体数 (HBA): 4
氢键供体数 (HBD): 2
LogP: 3.1628704
IUPAC: 5-amino-3-(4-phenoxyphenyl)-1-[(3R)-1-(prop-2-enoyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
IUPAC: 5-amino-3-(4-phenoxyphenyl)-1-[(3R)-1-(prop-2-enoyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
SMILES: NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C1)C(=O)C=C
SMILES: NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C1)C(=O)C=C
InChI key: WTLRSSATGYETCG-QGZVFWFLSA-N
