Amperozide cation

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Amperozide cation Quinonation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CCNC(=O)N1CC[NH+](CCCC(=C2C=CC(=O)C=C2)c2ccc(F)cc2)CC1 N-Dealkylation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CCNC(=O)N(CC=O)CCNCCCC(=C1C=CC(=O)C=C1)c1ccc(F)cc1 stable oxygenation prediction

CCNC(=O)N(CC=O)CCNCCCC(=C1C=CC(=O)C=C1)c1ccc(F)cc1 unstable oxygenation prediction

CCNC(=O)N(CC=O)CCNCCCC(=C1C=CC(=O)C=C1)c1ccc(F)cc1 dehydrogenation prediction

CCNC(=O)N(CC=O)CCNCCCC(=C1C=CC(=O)C=C1)c1ccc(F)cc1 reduction prediction

CCNC(=O)N(CC=O)CCNCCCC(=C1C=CC(=O)C=C1)c1ccc(F)cc1 hydrolysis prediction

Generation 3

dealkylation · 0.32

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

NCCCC(=C1C=CC(=O)C=C1)c1ccc(F)cc1