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(C2=C3C=Cc4c(-c5ccc(S(=O)(=O)O)cc5)ccnc4C34ON4C=C2)cc1 N-Dealkylation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=C1C(=C(C=CO)c2ccc(S(=O)(=O)O)cc2)C=CC2=C(c3ccc(S(=O)(=O)O)cc3)C=CN3OC123 stable oxygenation prediction

N=C1C(=C(C=CO)c2ccc(S(=O)(=O)O)cc2)C=CC2=C(c3ccc(S(=O)(=O)O)cc3)C=CN3OC123 unstable oxygenation prediction

N=C1C(=C(C=CO)c2ccc(S(=O)(=O)O)cc2)C=CC2=C(c3ccc(S(=O)(=O)O)cc3)C=CN3OC123 dehydrogenation prediction

N=C1C(=C(C=CO)c2ccc(S(=O)(=O)O)cc2)C=CC2=C(c3ccc(S(=O)(=O)O)cc3)C=CN3OC123 reduction prediction

N=C1C(=C(C=CO)c2ccc(S(=O)(=O)O)cc2)C=CC2=C(c3ccc(S(=O)(=O)O)cc3)C=CN3OC123 hydrolysis prediction

Generation 3

Select a metabolite to form the next generation.

Showing 5 of 150 metabolites