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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 C07256
pubchemid 9465
name Nefazodone
formula C25H32ClN5O2
structure
Isomeric_Smiles C1=CC=C(C(=C1)CC(C(=O)O)N)F
Cannoical_Smiles C1=CC=C(C(=C1)CC(C(=O)O)N)F
Gotenzyme_Smiles CCc1nn(CCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)n1CCOc1ccccc1