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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 C18596
pubchemid 124489270
name Bromadiolone
formula C30H23BrO4
structure
Isomeric_Smiles CNC[C@H]1CCN(C1)C(=O)CC2=CC(=CC=C2)Cl
Cannoical_Smiles CNCC1CCN(C1)C(=O)CC2=CC(=CC=C2)Cl
Gotenzyme_Smiles O=c1oc2ccccc2c(O)c1C(CC(O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1