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 N-Dealkylation prediction

Generation 2

Phenolsulfonic acid

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Phenolsulfonic acid stable oxygenation prediction

Phenolsulfonic acid unstable oxygenation prediction

Phenolsulfonic acid dehydrogenation prediction

Phenolsulfonic acid reduction prediction

Phenolsulfonic acid hydrolysis prediction

Generation 3

Molecule must have at least 2 atoms: O