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=C(C(=C=O)OC2OC(CO)C(O)C(O)C2O)C2(Cl)OC2(Br)C=C1 stable oxygenation prediction

NC1=C(C(=C=O)OC2OC(CO)C(O)C(O)C2O)C2(Cl)OC2(Br)C=C1 unstable oxygenation prediction

NC1=C(C(=C=O)OC2OC(CO)C(O)C(O)C2O)C2(Cl)OC2(Br)C=C1 dehydrogenation prediction

NC1=C(C(=C=O)OC2OC(CO)C(O)C(O)C2O)C2(Cl)OC2(Br)C=C1 reduction prediction

NC1=C(C(=C=O)OC2OC(CO)C(O)C(O)C2O)C2(Cl)OC2(Br)C=C1 hydrolysis prediction

Generation 3

Select a metabolite to form the next generation.

Showing 5 of 96 metabolites