Aminohippuric acid

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Aminohippuric acid Quinonation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

NC1=CC=C(C(=O)NCC(=O)O)C(=O)C1=O stable oxygenation prediction

NC1=CC=C(C(=O)NCC(=O)O)C(=O)C1=O unstable oxygenation prediction

NC1=CC=C(C(=O)NCC(=O)O)C(=O)C1=O dehydrogenation prediction

NC1=CC=C(C(=O)NCC(=O)O)C(=O)C1=O reduction prediction

NC1=CC=C(C(=O)NCC(=O)O)C(=O)C1=O hydrolysis prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

NC1=CC=C(C=O)C(=O)C1=O gsh prediction

NC1=CC=C(C=O)C(=O)C1=O protein prediction

NC1=CC=C(C=O)C(=O)C1=O cyanide prediction

NC1=CC=C(C=O)C(=O)C1=O dna prediction

Generation 3

glutathionation · 0.20

*C1C=C(N)C(=O)C(=O)C1=CO |$GSH;;;;;;;;;;;$|