Acetylaminoantipyrine

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Acetylaminoantipyrine stable oxygenation prediction

Acetylaminoantipyrine unstable oxygenation prediction

Acetylaminoantipyrine dehydrogenation prediction

Acetylaminoantipyrine reduction prediction

Acetylaminoantipyrine hydrolysis prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC(=O)Nc1c(C)n(C)n(-c2ccc(O)cc2)c1=O Quinonation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC(=O)NC1=C(C)N(C)[N+](=C2C=CC(=O)C=C2)C1=O gsh prediction

CC(=O)NC1=C(C)N(C)[N+](=C2C=CC(=O)C=C2)C1=O protein prediction

CC(=O)NC1=C(C)N(C)[N+](=C2C=CC(=O)C=C2)C1=O cyanide prediction

CC(=O)NC1=C(C)N(C)[N+](=C2C=CC(=O)C=C2)C1=O dna prediction

Generation 3

dna · 0.42

*C1C=C(O)C=CC1=[N+]1C(=O)C(NC(C)=O)=C(C)N1C |$DNA;;;;;;;;;;;;;;;;;;;$|