Antiproliferative agent-50
HIT105683863
sdf文件结构编辑类似物检索
HIT ID: HIT105683863
Cas No: 301675-59-2
分子式: C23H25NO5S3
分子量: 491.64
常用名: Antiproliferative agent-50
氢键受体数 (HBA): 6
氢键供体数 (HBD): 0
LogP: 5.696000000000000e+000
IUPAC: 4,5-dimethyl 2-(1-butanoyl-2,2,7-trimethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate
IUPAC: 4,5-dimethyl 2-(1-butanoyl-2,2,7-trimethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate
SMILES: [#6]-[#6]-[#6]-[#6](=O)-[#7]1-c2cc(-[#6])ccc2\[#6](=[#6]-2/[#16]-[#6](-[#6](=O)-[#8]-[#6])=[#6](-[#16]-2)-[#6](=O)-[#8]-[#6])-[#6](=S)C1([#6])[#6] |c:21|
SMILES: [#6]-[#6]-[#6]-[#6](=O)-[#7]1-c2cc(-[#6])ccc2\[#6](=[#6]-2/[#16]-[#6](-[#6](=O)-[#8]-[#6])=[#6](-[#16]-2)-[#6](=O)-[#8]-[#6])-[#6](=S)C1([#6])[#6] |c:21|
InChI key: TYZDDIQZELGNOA-UHFFFAOYSA-N
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