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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 C18536
pubchemid 124489210
name Benzobicyclon
formula C22H19ClO4S2
structure
Isomeric_Smiles CCC1=CC=C(C=C1)[C@@H](C2CCC2)Br
Cannoical_Smiles CCC1=CC=C(C=C1)C(C2CCC2)Br
Gotenzyme_Smiles CS(=O)(=O)c1ccc(C(=O)C2=C(Sc3ccccc3)C3CCC(C3)C2=O)c(Cl)c1