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 Quinonation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CN1C(=CO)C(=N)C(=O)N1c1ccccc1 gsh prediction

CN1C(=CO)C(=N)C(=O)N1c1ccccc1 protein prediction

CN1C(=CO)C(=N)C(=O)N1c1ccccc1 cyanide prediction

CN1C(=CO)C(=N)C(=O)N1c1ccccc1 dna prediction

Generation 3

cyanide · 0.04

*C(O)c1c(N)c(=O)n(-c2ccccc2)n1C |$CN;;;;;;;;;;;;;;;;$|