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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 C16610
pubchemid 51090936
name Citalopram propionic acid
formula C18H14FNO3
structure
Isomeric_Smiles CC1=CC(=CC(=C1)C(=O)NCC2CCN(C2)CC(F)(F)F)C
Cannoical_Smiles CC1=CC(=CC(=C1)C(=O)NCC2CCN(C2)CC(F)(F)F)C
Gotenzyme_Smiles N#Cc1ccc2c(c1)COC2(CCC(=O)O)c1ccc(F)cc1