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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 C11121
pubchemid 13303
name Propiconazole
formula C15H17Cl2N3O2
structure
Isomeric_Smiles C[NH2+]CCC=C1C2=CC=CC=C2CSC3=CC=CC=C31.[Cl-]
Cannoical_Smiles C[NH2+]CCC=C1C2=CC=CC=C2CSC3=CC=CC=C31.[Cl-]
Gotenzyme_Smiles CCCC1COC(Cn2cncn2)(c2ccc(Cl)cc2Cl)O1