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(CO)n(C)n(-c2ccccc2)c1=O Epoxidation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC(=O)NC12OC1(CO)N(C)N(c1ccccc1)C2=O gsh prediction

CC(=O)NC12OC1(CO)N(C)N(c1ccccc1)C2=O protein prediction

CC(=O)NC12OC1(CO)N(C)N(c1ccccc1)C2=O cyanide prediction

CC(=O)NC12OC1(CO)N(C)N(c1ccccc1)C2=O dna prediction

Generation 3

dna · 0.28

*C1(CO)N(C)N(c2ccccc2)C(=O)C1(O)NC(C)=O |$DNA;;;;;;;;;;;;;;;;;;;;$|