HIT ID: HIT212036497
Cas No: 1604810-84-5
分子式: C31H28ClN7O2
分子量: 566.06
常用名: THZ2
氢键受体数 (HBA): 6
氢键供体数 (HBD): 4
LogP: 5.804828
IUPAC: N-(3-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)-3-[(2E)-4-(dimethylamino)but-2-enamido]benzamide
IUPAC: N-(3-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)-3-[(2E)-4-(dimethylamino)but-2-enamido]benzamide
SMILES: CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
SMILES: CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
InChI key: FONRCZUZCHXWBD-VGOFMYFVSA-N
