Substrate
Generation 1
Generation 2

Acivicin

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Acivicin Epoxidation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

NC(C(=O)O)C1CC2(Cl)ON2O1 stable oxygenation prediction

NC(C(=O)O)C1CC2(Cl)ON2O1 unstable oxygenation prediction

NC(C(=O)O)C1CC2(Cl)ON2O1 dehydrogenation prediction

NC(C(=O)O)C1CC2(Cl)ON2O1 reduction prediction

NC(C(=O)O)C1CC2(Cl)ON2O1 hydrolysis prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

NC(C(=O)O)C1CC2(O)ON2O1 gsh prediction

NC(C(=O)O)C1CC2(O)ON2O1 protein prediction

NC(C(=O)O)C1CC2(O)ON2O1 cyanide prediction

NC(C(=O)O)C1CC2(O)ON2O1 dna prediction