Azocarmine g free acid

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Azocarmine g free acid Epoxidation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

O=S(=O)(O)c1ccc(N=c2cc3n(-c4ccccc4)c4ccccc4nc-3c3c2C2OC2(S(=O)(=O)O)C=C3)cc1 Quinonation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

O=C1C=CC=CC1=NC1=CC(=Nc2ccc(S(=O)(=O)O)cc2)C2=C(C=CC3(S(=O)(=O)O)OC23)C1=Nc1ccccc1 N-Dealkylation prediction

Generation 3

Select a metabolite to form the next generation.

Showing 5 of 6 metabolites