Azabenzimidazole

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Azabenzimidazole N-Dealkylation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=C1N=CNC1=CC=CO Epoxidation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

OC=CC=C1NC=NC12NO2 stable oxygenation prediction

OC=CC=C1NC=NC12NO2 unstable oxygenation prediction

OC=CC=C1NC=NC12NO2 dehydrogenation prediction

OC=CC=C1NC=NC12NO2 reduction prediction

OC=CC=C1NC=NC12NO2 hydrolysis prediction

Generation 3

epoxidation · 0.22

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

OC=CC=C1NC2ON2C12NO2