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

Nc1ccc(Br)c(Cl)c1C1(OC2OC(CO)C(O)C(O)C2O)OC1=O UGT Conjugation prediction

Generation 3

glucuronidation · 0.50

*OCC1OC(OC2(c3c(N)ccc(Br)c3Cl)OC2=O)C(O)C(O)C1O |$GlcA;;;;;;;;;;;;;;;;;;;;;;;;;$|