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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 C18544
pubchemid 124489218
name Simeconazole
formula C14H20FN3OSi
structure
Isomeric_Smiles CC[C@@H](C1=C(C=C(C=C1)Cl)Cl)Br
Cannoical_Smiles CCC(C1=C(C=C(C=C1)Cl)Cl)Br
Gotenzyme_Smiles C[Si](C)(C)CC(O)(Cn1cncn1)c1ccc(F)cc1