Acetylaminoantipyrine

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Acetylaminoantipyrine Epoxidation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC(=O)Nc1c(C)n(C)n(C2=CC3OC3C=C2)c1=O stable oxygenation prediction

CC(=O)Nc1c(C)n(C)n(C2=CC3OC3C=C2)c1=O unstable oxygenation prediction

CC(=O)Nc1c(C)n(C)n(C2=CC3OC3C=C2)c1=O dehydrogenation prediction

CC(=O)Nc1c(C)n(C)n(C2=CC3OC3C=C2)c1=O reduction prediction

CC(=O)Nc1c(C)n(C)n(C2=CC3OC3C=C2)c1=O hydrolysis prediction

Generation 2

Formaldehyde

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Formaldehyde gsh prediction

Formaldehyde protein prediction

Formaldehyde cyanide prediction

Formaldehyde dna prediction

Generation 3

Select a metabolite to form the next generation.