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 Epoxidation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

O=S(=O)(O)c1ccc(C2=C3C=Cc4c(-c5ccc(S(=O)(=O)O)cc5)ccnc4C34ON4C3OC23)cc1 N-Dealkylation prediction

Generation 3

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=C1C(=C(C=C=O)c2ccc(S(=O)(=O)O)cc2)C=CC2=C(c3ccc(S(=O)(=O)O)cc3)C3OC3N3OC123 gsh prediction

N=C1C(=C(C=C=O)c2ccc(S(=O)(=O)O)cc2)C=CC2=C(c3ccc(S(=O)(=O)O)cc3)C3OC3N3OC123 protein prediction

N=C1C(=C(C=C=O)c2ccc(S(=O)(=O)O)cc2)C=CC2=C(c3ccc(S(=O)(=O)O)cc3)C3OC3N3OC123 cyanide prediction

N=C1C(=C(C=C=O)c2ccc(S(=O)(=O)O)cc2)C=CC2=C(c3ccc(S(=O)(=O)O)cc3)C3OC3N3OC123 dna prediction

Generation 4

Select a metabolite to form the next generation.

Showing 5 of 8 metabolites