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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 C18704
pubchemid 124489378
name Bromuconazole
formula C13H12BrCl2N3O
structure
Isomeric_Smiles CC1=CC(=C(C=C1)S(=O)(=O)N2CC[C@H](C2)CNC)Cl
Cannoical_Smiles CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(C2)CNC)Cl
Gotenzyme_Smiles Clc1ccc(C2(Cn3cncn3)CC(Br)CO2)c(Cl)c1