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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 C18701
pubchemid 124489375
name Azaconazole
formula C12H11Cl2N3O2
structure
Isomeric_Smiles CCC1=CC=C(C=C1)S(=O)(=O)N2CC[C@@H](C2)CNC
Cannoical_Smiles CCC1=CC=C(C=C1)S(=O)(=O)N2CCC(C2)CNC
Gotenzyme_Smiles Clc1ccc(C2(Cn3cncn3)OCCO2)c(Cl)c1