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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 C07634
pubchemid 9836
name Halofantrine
formula C26H30Cl2F3NO
structure
Isomeric_Smiles C1=CC(=CC=C1CSC2=CC=C(C=C2)F)Cl
Cannoical_Smiles C1=CC(=CC=C1CSC2=CC=C(C=C2)F)Cl
Gotenzyme_Smiles CCCCN(CCCC)CCC(O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12