Amperozide cation

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Amperozide cation N-Dealkylation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

NC(=O)N1CC[NH+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 Epoxidation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

NC(=O)N1CC[NH+](CCCC(C2=CC3OC3(F)C=C2)c2ccc(F)cc2)CC1 gsh prediction

NC(=O)N1CC[NH+](CCCC(C2=CC3OC3(F)C=C2)c2ccc(F)cc2)CC1 protein prediction

NC(=O)N1CC[NH+](CCCC(C2=CC3OC3(F)C=C2)c2ccc(F)cc2)CC1 cyanide prediction

NC(=O)N1CC[NH+](CCCC(C2=CC3OC3(F)C=C2)c2ccc(F)cc2)CC1 dna prediction

Generation 3

Select a metabolite to form the next generation.