HIT ID: HIT214317492
Cas No: 1839508-99-4
分子式: C47H54N6O3
分子量: 750.988
常用名: (Rac)-ACT-451840
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2E)-N-{[4-(4-acetylpiperazin-1-yl)phenyl]methyl}-3-(4-tert-butylphenyl)-N-(1-{4-[(4-cyanophenyl)methyl]piperazin-1-yl}-1-oxo-3-phenylpropan-2-yl)prop-2-enamide
IUPAC: (2E)-N-{[4-(4-acetylpiperazin-1-yl)phenyl]methyl}-3-(4-tert-butylphenyl)-N-(1-{4-[(4-cyanophenyl)methyl]piperazin-1-yl}-1-oxo-3-phenylpropan-2-yl)prop-2-enamide
SMILES: CC(=O)N1CCN(CC1)c1ccc(CN(C(Cc2ccccc2)C(=O)N2CCN(Cc3ccc(cc3)C#N)CC2)C(=O)\C=C\c2ccc(cc2)C(C)(C)C)cc1
SMILES: CC(=O)N1CCN(CC1)c1ccc(CN(C(Cc2ccccc2)C(=O)N2CCN(Cc3ccc(cc3)C#N)CC2)C(=O)\C=C\c2ccc(cc2)C(C)(C)C)cc1
InChI key: BQZUYCCCNXOADJ-PTGBLXJZSA-N
