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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 C18577
pubchemid 124489251
name Diquat
formula C12H12N2
structure
Isomeric_Smiles CNC[C@@H]1CCN(C1)C(=O)COC2=CC=CC=C2
Cannoical_Smiles CNCC1CCN(C1)C(=O)COC2=CC=CC=C2
Gotenzyme_Smiles c1cc[n+]2c(c1)-c1cccc[n+]1CC2