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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 C11123
pubchemid 13305
name Pyrazolate
formula C19H16Cl2N2O4S
structure
Isomeric_Smiles COCCCNC1=NC(=NC(=N1)SC)NCCCOC
Cannoical_Smiles COCCCNC1=NC(=NC(=N1)SC)NCCCOC
Gotenzyme_Smiles Cc1ccc(S(=O)(=O)Oc2c(C(=O)c3ccc(Cl)cc3Cl)c(C)nn2C)cc1