Aminohippuric acid

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Aminohippuric acid Epoxidation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

NC12C=CC(C(=O)NCC(=O)O)=CC1O2 stable oxygenation prediction

NC12C=CC(C(=O)NCC(=O)O)=CC1O2 unstable oxygenation prediction

NC12C=CC(C(=O)NCC(=O)O)=CC1O2 dehydrogenation prediction

NC12C=CC(C(=O)NCC(=O)O)=CC1O2 reduction prediction

NC12C=CC(C(=O)NCC(=O)O)=CC1O2 hydrolysis prediction

Generation 2

hydrolysis · 0.53

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

NC12C=CC(C(=O)O)=CC1O2