Azodopa

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Azodopa Quinonation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CN(C)CCc1ccccc1N=NC1=CC(=O)C(O)=CC1=O Epoxidation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CN(C)CCc1ccccc1N=NC1=CC(=O)C2(O)OC2C1=O stable oxygenation prediction

CN(C)CCc1ccccc1N=NC1=CC(=O)C2(O)OC2C1=O unstable oxygenation prediction

CN(C)CCc1ccccc1N=NC1=CC(=O)C2(O)OC2C1=O dehydrogenation prediction

CN(C)CCc1ccccc1N=NC1=CC(=O)C2(O)OC2C1=O reduction prediction

CN(C)CCc1ccccc1N=NC1=CC(=O)C2(O)OC2C1=O hydrolysis prediction

Generation 3

Formic acid

dealkylation · 0.47

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Formic acid