Bathophenanthroline disulfonic acid

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Bathophenanthroline disulfonic acid Epoxidation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

O=S(=O)(O)c1ccc(-c2ccnc3c4c(ccc23)C2(c3ccc(S(=O)(=O)O)cc3)OC2C=N4)cc1 Quinonation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

O=C1C=C(c2ccc(S(=O)(=O)O)cc2)C2=CC(=O)C3=C(N=CC4OC34c3ccc(S(=O)(=O)O)cc3)C2=N1 N-Dealkylation prediction

Generation 3

Select a metabolite to form the next generation.