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(-c2ccnc3c2ccc2c(C4=CC5OC5(S(=O)(=O)O)C=C4)ccnc23)cc1 N-Dealkylation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=CC=C(c1ccc(S(=O)(=O)O)cc1)c1ccc2c(C3=CC4OC4(S(=O)(=O)O)C=C3)ccnc2c1O UGT Conjugation prediction

Generation 3

glucuronidation · 0.13

*Oc1c(C(=CC=N)c2ccc(S(=O)(=O)O)cc2)ccc2c(C3=CC4OC4(S(=O)(=O)O)C=C3)ccnc12 |$GlcA;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|