Azodopa

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Azodopa Epoxidation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CN(C)CCc1ccccc1N=NC1=CC2OC2(O)C(O)=C1 N-Dealkylation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CN(C)CCc1ccccc1N=N Quinonation prediction

Generation 3

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CN(C)CC=C1C(=O)C=CC=C1N=N stable oxygenation prediction

CN(C)CC=C1C(=O)C=CC=C1N=N unstable oxygenation prediction

CN(C)CC=C1C(=O)C=CC=C1N=N dehydrogenation prediction

CN(C)CC=C1C(=O)C=CC=C1N=N reduction prediction

CN(C)CC=C1C(=O)C=CC=C1N=N hydrolysis prediction

Generation 4

Formaldehyde

dealkylation · 0.49

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Formaldehyde