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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 C16607
pubchemid 51090933
name Citalopram N-oxide
formula C20H21FN2O2
structure
Isomeric_Smiles CC1=CN=C(C=N1)C(=O)NCC2CCN(C2)CC(F)(F)F
Cannoical_Smiles CC1=CN=C(C=N1)C(=O)NCC2CCN(C2)CC(F)(F)F
Gotenzyme_Smiles C[N+](C)([O-])CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21