Bathophenanthroline disulfonic acid

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Bathophenanthroline disulfonic acid Quinonation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

O=C1C=C(c2ccc(S(=O)(=O)O)cc2)c2ccc3c(c2=N1)=NC(=O)C=C3c1ccc(S(=O)(=O)O)cc1 Epoxidation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

O=C1C=C(C2=CC3OC3(S(=O)(=O)O)C=C2)c2ccc3c(c2=N1)=NC(=O)C=C3c1ccc(S(=O)(=O)O)cc1 N-Dealkylation prediction

Generation 3

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=C1C(C(=CC(=O)O)c2ccc(S(=O)(=O)O)cc2)=CC=C2C(C3=CC4OC4(S(=O)(=O)O)C=C3)=CC(=O)N=C12 gsh prediction

N=C1C(C(=CC(=O)O)c2ccc(S(=O)(=O)O)cc2)=CC=C2C(C3=CC4OC4(S(=O)(=O)O)C=C3)=CC(=O)N=C12 protein prediction

N=C1C(C(=CC(=O)O)c2ccc(S(=O)(=O)O)cc2)=CC=C2C(C3=CC4OC4(S(=O)(=O)O)C=C3)=CC(=O)N=C12 cyanide prediction

N=C1C(C(=CC(=O)O)c2ccc(S(=O)(=O)O)cc2)=CC=C2C(C3=CC4OC4(S(=O)(=O)O)C=C3)=CC(=O)N=C12 dna prediction

Generation 4

Select a metabolite to form the next generation.

Showing 5 of 16 metabolites