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

C[NH+]=c1ccc2nc3c(sc-2c1)=CC1(N)OC1C=3 stable oxygenation prediction

C[NH+]=c1ccc2nc3c(sc-2c1)=CC1(N)OC1C=3 unstable oxygenation prediction

C[NH+]=c1ccc2nc3c(sc-2c1)=CC1(N)OC1C=3 dehydrogenation prediction

C[NH+]=c1ccc2nc3c(sc-2c1)=CC1(N)OC1C=3 reduction prediction

C[NH+]=c1ccc2nc3c(sc-2c1)=CC1(N)OC1C=3 hydrolysis prediction

Generation 2

Methanol

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Methanol Quinonation prediction