SirReal1-O-propargyl
HIT212668279
sdf文件结构编辑类似物检索
HIT ID: HIT212668279
Cas No: 1862237-99-7
分子式: C21H20N4O2S2
分子量: 424.54
常用名: SirReal1-O-propargyl
氢键受体数 (HBA): 5
氢键供体数 (HBD): 1
LogP: 3.8581183
IUPAC: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(5-{[3-(prop-2-yn-1-yloxy)phenyl]methyl}-1,3-thiazol-2-yl)acetamide
IUPAC: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(5-{[3-(prop-2-yn-1-yloxy)phenyl]methyl}-1,3-thiazol-2-yl)acetamide
SMILES: Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc(OCC#C)c3)s2)n1
SMILES: Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc(OCC#C)c3)s2)n1
InChI key: ISDMLEKZQIHDDE-UHFFFAOYSA-N
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