Bathophenanthroline disulfonic acid

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Bathophenanthroline disulfonic acid stable oxygenation prediction

Bathophenanthroline disulfonic acid unstable oxygenation prediction

Bathophenanthroline disulfonic acid dehydrogenation prediction

Bathophenanthroline disulfonic acid reduction prediction

Bathophenanthroline disulfonic acid hydrolysis prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

O=S(=O)(O)c1ccc(-c2ccnc3c2ccc2c(-c4ccc([SH](=O)(O)O)cc4)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(-c3ccc([SH](=O)(O)O)cc3)ccnc2c1O gsh prediction

N=CC=C(c1ccc(S(=O)(=O)O)cc1)c1ccc2c(-c3ccc([SH](=O)(O)O)cc3)ccnc2c1O protein prediction

N=CC=C(c1ccc(S(=O)(=O)O)cc1)c1ccc2c(-c3ccc([SH](=O)(O)O)cc3)ccnc2c1O cyanide prediction

N=CC=C(c1ccc(S(=O)(=O)O)cc1)c1ccc2c(-c3ccc([SH](=O)(O)O)cc3)ccnc2c1O dna prediction

Generation 3

Select a metabolite to form the next generation.