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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 C08088
pubchemid 10288
name Efavirenz
formula C14H9ClF3NO2
structure
Isomeric_Smiles CC1=CC2=C(C(=C1)O)C(=C3C(=C2)C=CC=C3O)O
Cannoical_Smiles CC1=CC2=C(C(=C1)O)C(=C3C(=C2)C=CC=C3O)O
Gotenzyme_Smiles O=C1Nc2ccc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1