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=CC=C(O)C2(O)OC12 Quinonation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CN(C)CC=C1C(=O)C=CC=C1N=NC1=CC=C(O)C2(O)OC12 stable oxygenation prediction

CN(C)CC=C1C(=O)C=CC=C1N=NC1=CC=C(O)C2(O)OC12 unstable oxygenation prediction

CN(C)CC=C1C(=O)C=CC=C1N=NC1=CC=C(O)C2(O)OC12 dehydrogenation prediction

CN(C)CC=C1C(=O)C=CC=C1N=NC1=CC=C(O)C2(O)OC12 reduction prediction

CN(C)CC=C1C(=O)C=CC=C1N=NC1=CC=C(O)C2(O)OC12 hydrolysis prediction

Generation 3

Methanol

dealkylation · 0.40

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Methanol