Azure c cation

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Azure c cation Epoxidation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CNc1ccc2c(c1)SC1=CC(=[NH2+])C3OC3C1=N2 stable oxygenation prediction

CNc1ccc2c(c1)SC1=CC(=[NH2+])C3OC3C1=N2 unstable oxygenation prediction

CNc1ccc2c(c1)SC1=CC(=[NH2+])C3OC3C1=N2 dehydrogenation prediction

CNc1ccc2c(c1)SC1=CC(=[NH2+])C3OC3C1=N2 reduction prediction

CNc1ccc2c(c1)SC1=CC(=[NH2+])C3OC3C1=N2 hydrolysis prediction

Generation 2

Formic acid

dealkylation · 0.78

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Formic acid