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=CC2(O)OC2(O)C=C1 stable oxygenation prediction

CN(C)CCc1ccccc1N=NC1=CC2(O)OC2(O)C=C1 unstable oxygenation prediction

CN(C)CCc1ccccc1N=NC1=CC2(O)OC2(O)C=C1 dehydrogenation prediction

CN(C)CCc1ccccc1N=NC1=CC2(O)OC2(O)C=C1 reduction prediction

CN(C)CCc1ccccc1N=NC1=CC2(O)OC2(O)C=C1 hydrolysis prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CN(C)CCc1ccccc1NNC1=CC2(O)OC2(O)C=C1 UGT Conjugation prediction

Generation 3

glucuronidation · 0.32

*OC12C=CC(NNc3ccccc3CCN(C)C)=CC1(O)O2 |$GlcA;;;;;;;;;;;;;;;;;;;;;;$|