HIT ID: HIT214433859
Cas No: 2396529-58-9
分子式: C26H30ClN7O5
分子量: 556.02
常用名: PAK4-IN-1
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: [(2R)-4-{6-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazoline-2-carbonyl}-2-methylpiperazine-1-carbonyloxy]methyl 2-methylpropanoate
IUPAC: [(2R)-4-{6-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazoline-2-carbonyl}-2-methylpiperazine-1-carbonyloxy]methyl 2-methylpropanoate
SMILES: CC(C)C(=O)OCOC(=O)N1CCN(C[C@H]1C)C(=O)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1
SMILES: CC(C)C(=O)OCOC(=O)N1CCN(C[C@H]1C)C(=O)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1
InChI key: BLTRTVBDRKHOKM-OAHLLOKOSA-N
