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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 C07222
pubchemid 9431
name Mibefradil
formula C29H38FN3O3
structure
Isomeric_Smiles CCCCCNC1=C2CCCCC2=NC3=CC=CC=C31
Cannoical_Smiles CCCCCNC1=C2CCCCC2=NC3=CC=CC=C31
Gotenzyme_Smiles COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C