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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 C19103
pubchemid 124489775
name Ipazine
formula C10H18ClN5
structure
Isomeric_Smiles C1=CC=C(C=C1)COC2=CC=C(C=C2)[C@H]3[C@H](C(=O)N3C4=CC=C(C=C4)F)CC[C@@H](C5=CC=C(C=C5)F)O
Cannoical_Smiles C1=CC=C(C=C1)COC2=CC=C(C=C2)C3C(C(=O)N3C4=CC=C(C=C4)F)CCC(C5=CC=C(C=C5)F)O
Gotenzyme_Smiles CCN(CC)c1nc(Cl)nc(NC(C)C)n1