Azabenzimidazole

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Azabenzimidazole Epoxidation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

C1=Nc2nc[nH]c2C2OC12 N-Dealkylation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=CNC1=C(O)N=CC2OC12 stable oxygenation prediction

N=CNC1=C(O)N=CC2OC12 unstable oxygenation prediction

N=CNC1=C(O)N=CC2OC12 dehydrogenation prediction

N=CNC1=C(O)N=CC2OC12 reduction prediction

N=CNC1=C(O)N=CC2OC12 hydrolysis prediction

Generation 3

Isocyanate

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Isocyanate UGT Conjugation prediction