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=C1C(=C(C=CO)c2ccc(S(=O)(=O)O)cc2)C=Cc2c(-c3ccc(S(=O)(=O)O)cc3)ccnc21 Quinonation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=C1C2=NC(=O)C(=O)C(c3ccc(S(=O)(=O)O)cc3)=C2C=CC1=C(C=CO)c1ccc(S(=O)(=O)O)cc1 stable oxygenation prediction

N=C1C2=NC(=O)C(=O)C(c3ccc(S(=O)(=O)O)cc3)=C2C=CC1=C(C=CO)c1ccc(S(=O)(=O)O)cc1 unstable oxygenation prediction

N=C1C2=NC(=O)C(=O)C(c3ccc(S(=O)(=O)O)cc3)=C2C=CC1=C(C=CO)c1ccc(S(=O)(=O)O)cc1 dehydrogenation prediction

N=C1C2=NC(=O)C(=O)C(c3ccc(S(=O)(=O)O)cc3)=C2C=CC1=C(C=CO)c1ccc(S(=O)(=O)O)cc1 reduction prediction

N=C1C2=NC(=O)C(=O)C(c3ccc(S(=O)(=O)O)cc3)=C2C=CC1=C(C=CO)c1ccc(S(=O)(=O)O)cc1 hydrolysis prediction

Generation 3

Select a metabolite to form the next generation.

Showing 5 of 167 metabolites