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=CC(=O)C2=C(c3ccc(S(=O)(=O)O)cc3)C(=O)C=NC2=C1O)c1ccc(S(=O)(=O)O)cc1 Epoxidation prediction

Generation 3

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=CC=C(C1=CC(=O)C2=C(c3ccc(S(=O)(=O)O)cc3)C(=O)C=NC23OC13O)c1ccc(S(=O)(=O)O)cc1 gsh prediction

N=CC=C(C1=CC(=O)C2=C(c3ccc(S(=O)(=O)O)cc3)C(=O)C=NC23OC13O)c1ccc(S(=O)(=O)O)cc1 protein prediction

N=CC=C(C1=CC(=O)C2=C(c3ccc(S(=O)(=O)O)cc3)C(=O)C=NC23OC13O)c1ccc(S(=O)(=O)O)cc1 cyanide prediction

N=CC=C(C1=CC(=O)C2=C(c3ccc(S(=O)(=O)O)cc3)C(=O)C=NC23OC13O)c1ccc(S(=O)(=O)O)cc1 dna prediction

Generation 4

Select a metabolite to form the next generation.

Showing 5 of 8 metabolites