HIT ID: HIT212717650
Cas No: 2088112-70-1
分子式: C25H27FN8O3S
分子量: 538.6
常用名: PF-6808472
氢键受体数 (HBA): 9
氢键供体数 (HBD): 3
LogP: 3.311477
IUPAC: 4-[(4-{4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(prop-2-yn-1-yl)carbamoyl]pyrimidin-2-yl}piperazin-1-yl)methyl]benzene-1-sulfonyl fluoride
IUPAC: 4-[(4-{4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(prop-2-yn-1-yl)carbamoyl]pyrimidin-2-yl}piperazin-1-yl)methyl]benzene-1-sulfonyl fluoride
SMILES: FS(=O)(=O)c1ccc(CN2CCN(CC2)c2nc(Nc3cc([nH]n3)C3CC3)cc(n2)C(=O)NCC#C)cc1
SMILES: FS(=O)(=O)c1ccc(CN2CCN(CC2)c2nc(Nc3cc([nH]n3)C3CC3)cc(n2)C(=O)NCC#C)cc1
InChI key: ZBSPMOBILDLOCV-UHFFFAOYSA-N
