HIT ID: HIT212713801
Cas No: 1628439-59-7
分子式: C45H48N8O6
分子量: 796.929
常用名: TOP1210
氢键受体数 (HBA): 9
氢键供体数 (HBD): 4
LogP: 8.101741
IUPAC: 3-[(4-{[4-({[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}amino)naphthalen-1-yl]oxy}pyrimidin-2-yl)amino]-5-ethynyl-N-{2-[2-(2-methoxyethoxy)ethoxy]ethyl}benzamide
IUPAC: 3-[(4-{[4-({[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}amino)naphthalen-1-yl]oxy}pyrimidin-2-yl)amino]-5-ethynyl-N-{2-[2-(2-methoxyethoxy)ethoxy]ethyl}benzamide
SMILES: COCCOCCOCCNC(=O)c1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(c1)C#C
SMILES: COCCOCCOCCNC(=O)c1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(c1)C#C
InChI key: MMBUUNLZGRAVKE-UHFFFAOYSA-N
