Bcig

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Bcig N-Dealkylation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Nc1ccc(Br)c(Cl)c1C(=C=O)OC1OC(CO)C(O)C(O)C1O Epoxidation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

NC1=CC2OC2(Br)C(Cl)=C1C(=C=O)OC1OC(CO)C(O)C(O)C1O stable oxygenation prediction

NC1=CC2OC2(Br)C(Cl)=C1C(=C=O)OC1OC(CO)C(O)C(O)C1O unstable oxygenation prediction

NC1=CC2OC2(Br)C(Cl)=C1C(=C=O)OC1OC(CO)C(O)C(O)C1O dehydrogenation prediction

NC1=CC2OC2(Br)C(Cl)=C1C(=C=O)OC1OC(CO)C(O)C(O)C1O reduction prediction

NC1=CC2OC2(Br)C(Cl)=C1C(=C=O)OC1OC(CO)C(O)C(O)C1O hydrolysis prediction

Generation 3

Select a metabolite to form the next generation.

Showing 5 of 93 metabolites