Bcig

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Bcig Epoxidation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

OCC1OC(OC23OC2Nc2ccc(Br)c(Cl)c23)C(O)C(O)C1O stable oxygenation prediction

OCC1OC(OC23OC2Nc2ccc(Br)c(Cl)c23)C(O)C(O)C1O unstable oxygenation prediction

OCC1OC(OC23OC2Nc2ccc(Br)c(Cl)c23)C(O)C(O)C1O dehydrogenation prediction

OCC1OC(OC23OC2Nc2ccc(Br)c(Cl)c23)C(O)C(O)C1O reduction prediction

OCC1OC(OC23OC2Nc2ccc(Br)c(Cl)c23)C(O)C(O)C1O hydrolysis prediction

Generation 2

dealkylation · 0.27

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

OC12OC1Nc1ccc(Br)c(Cl)c12