Aminohippuric acid

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Aminohippuric acid N-Dealkylation prediction

Generation 1

4-aminobenzamide

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

4-aminobenzamide Quinonation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

NC(=O)C1=CC=C(N)C(=O)C1=O stable oxygenation prediction

NC(=O)C1=CC=C(N)C(=O)C1=O unstable oxygenation prediction

NC(=O)C1=CC=C(N)C(=O)C1=O dehydrogenation prediction

NC(=O)C1=CC=C(N)C(=O)C1=O reduction prediction

NC(=O)C1=CC=C(N)C(=O)C1=O hydrolysis prediction

Generation 3

oxygen reduction · 0.38

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

NC(=O)C1=CC=C(N)C(=O)C1O