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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 C12564
pubchemid 582954
name Aripiprazole
formula C23H27Cl2N3O2
structure
Isomeric_Smiles CC(=NOC)C(=O)OC
Cannoical_Smiles CC(=NOC)C(=O)OC
Gotenzyme_Smiles O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1