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=c2c(nccc2=C2C=CC(S(=O)(=O)O)=CC2=O)C1=O)c1ccc(S(=O)(=O)O)cc1 Epoxidation prediction

Generation 3

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=CC=C(C1=CC=c2c(nccc2=C2C(=O)C=C(S(=O)(=O)O)C3OC23)C1=O)c1ccc(S(=O)(=O)O)cc1 gsh prediction

N=CC=C(C1=CC=c2c(nccc2=C2C(=O)C=C(S(=O)(=O)O)C3OC23)C1=O)c1ccc(S(=O)(=O)O)cc1 protein prediction

N=CC=C(C1=CC=c2c(nccc2=C2C(=O)C=C(S(=O)(=O)O)C3OC23)C1=O)c1ccc(S(=O)(=O)O)cc1 cyanide prediction

N=CC=C(C1=CC=c2c(nccc2=C2C(=O)C=C(S(=O)(=O)O)C3OC23)C1=O)c1ccc(S(=O)(=O)O)cc1 dna prediction

Generation 4

Select a metabolite to form the next generation.

Showing 5 of 16 metabolites