Name: DCN1-UBC12-IN-1
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214435694
Cas No:2374827-31-1
常用名:DCN1-UBC12-IN-1
IUPAC:4-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-2-{[(4-methylphenyl)methyl]sulfanyl}-6-(3,4,5-trimethoxyphenyl)pyrimidine-5-carbonitrile
IUPAC:4-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-2-{[(4-methylphenyl)methyl]sulfanyl}-6-(3,4,5-trimethoxyphenyl)pyrimidine-5-carbonitrile
InChI key:QXJYXXJWATXSKC-UHFFFAOYSA-N

分子式:C24H23N7O3S2
分子量:521.61
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COc1cc(cc(OC)c1OC)-c1nc(SCc2ccc(C)cc2)nc(Sc2nnnn2C)c1C#N
SMILES:COc1cc(cc(OC)c1OC)-c1nc(SCc2ccc(C)cc2)nc(Sc2nnnn2C)c1C#N

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