Aurora kinase inhibitor-13
HIT100513926
sdf文件结构编辑类似物检索
HIT ID: HIT100513926
Cas No: 792965-51-6
分子式: C20H20N4O5S
分子量: 428.46
常用名: Aurora kinase inhibitor-13
氢键受体数 (HBA): 5
氢键供体数 (HBD): 1
LogP: 2.521
IUPAC: {13-oxo-8-thia-1,10-diazatricyclo[7.4.0.0^{2,7}]trideca-2,4,6,9,11-pentaen-11-yl}methyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
IUPAC: {13-oxo-8-thia-1,10-diazatricyclo[7.4.0.0^{2,7}]trideca-2,4,6,9,11-pentaen-11-yl}methyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILES: CCC1(CC)NC(=O)N(CC(=O)OCc2cc(=O)n3c(n2)sc2ccccc32)C1=O
SMILES: CCC1(CC)NC(=O)N(CC(=O)OCc2cc(=O)n3c(n2)sc2ccccc32)C1=O
InChI key: BUGRRQSZUDQNKE-UHFFFAOYSA-N
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