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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 C01690
pubchemid 4831
name Diclofenac
formula C14H11Cl2NO2
structure
Isomeric_Smiles CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCNCC3)C(=O)O
Cannoical_Smiles CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCNCC3)C(=O)O
Gotenzyme_Smiles O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl