Azure c cation

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Azure c cation N-Dealkylation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CNc1ccc2nc3ccc(O)cc3[s+]c2c1 stable oxygenation prediction

CNc1ccc2nc3ccc(O)cc3[s+]c2c1 unstable oxygenation prediction

CNc1ccc2nc3ccc(O)cc3[s+]c2c1 dehydrogenation prediction

CNc1ccc2nc3ccc(O)cc3[s+]c2c1 reduction prediction

CNc1ccc2nc3ccc(O)cc3[s+]c2c1 hydrolysis prediction

Generation 2

dealkylation · 0.81

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Nc1ccc2nc3ccc(O)cc3[s+]c2c1