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 N-Dealkylation prediction

Generation 3

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=CC=C(C1=C(O)C(=N)C(=C(C=CO)c2ccc(S(=O)(=O)O)cc2)C(=O)C1=O)c1ccc(S(=O)(=O)O)cc1 stable oxygenation prediction

N=CC=C(C1=C(O)C(=N)C(=C(C=CO)c2ccc(S(=O)(=O)O)cc2)C(=O)C1=O)c1ccc(S(=O)(=O)O)cc1 unstable oxygenation prediction

N=CC=C(C1=C(O)C(=N)C(=C(C=CO)c2ccc(S(=O)(=O)O)cc2)C(=O)C1=O)c1ccc(S(=O)(=O)O)cc1 dehydrogenation prediction

N=CC=C(C1=C(O)C(=N)C(=C(C=CO)c2ccc(S(=O)(=O)O)cc2)C(=O)C1=O)c1ccc(S(=O)(=O)O)cc1 reduction prediction

N=CC=C(C1=C(O)C(=N)C(=C(C=CO)c2ccc(S(=O)(=O)O)cc2)C(=O)C1=O)c1ccc(S(=O)(=O)O)cc1 hydrolysis prediction

Generation 4

Select a metabolite to form the next generation.

Showing 5 of 135 metabolites