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MTC 智能计算中心MTC Computing Center AI × 蛋白质与酶工程AI for Protein & Enzyme Engineering

化合物信息

名称 内容
kegg编号 C11704
pubchemid 13869
name DuP 697
formula C17H12BrFO2S2
structure
Isomeric_Smiles CCC12COP(=O)(OC1)OC2
Cannoical_Smiles CCC12COP(=O)(OC1)OC2
Gotenzyme_Smiles CS(=O)(=O)c1ccc(-c2cc(Br)sc2-c2ccc(F)cc2)cc1