Bathophenanthroline disulfonic acid

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Bathophenanthroline disulfonic acid N-Dealkylation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=CC=C(c1ccc(S(=O)(=O)O)cc1)c1ccc2c(-c3ccc(S(=O)(=O)O)cc3)ccnc2c1O Quinonation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=CC=C(C1=C(O)c2nccc(-c3ccc(S(=O)(=O)O)cc3)c2C(=O)C1=O)c1ccc(S(=O)(=O)O)cc1 Epoxidation prediction

Generation 3

epoxidation · 0.00

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

O=C1C(=O)c2c(-c3ccc(S(=O)(=O)O)cc3)ccnc2C(O)=C1C(=CC1NO1)c1ccc(S(=O)(=O)O)cc1