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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 C18367
pubchemid 124489041
name Malachite green
formula C23H25N2. Cl
structure
Isomeric_Smiles CC[C@@](C)(CC(=O)OCC)N1CCOCC1
Cannoical_Smiles CCC(C)(CC(=O)OCC)N1CCOCC1
Gotenzyme_Smiles CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccccc2)cc1.[Cl-]