Adp

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Adp stable oxygenation prediction

Adp unstable oxygenation prediction

Adp dehydrogenation prediction

Adp reduction prediction

Adp hydrolysis prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Nc1ncnc2c1ncn2C1OC(CO[PH](=O)O)C(O)C1O Quinonation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=C1N=CN=C2C1=NC(=O)N2C1OC(CO[PH](=O)O)C(O)C1O N-Dealkylation prediction

Generation 3

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=C(N=C=O)C1=NC(=O)N(C2OC(CO[PH](=O)O)C(O)C2O)C1=N UGT Conjugation prediction

Generation 4

Select a metabolite to form the next generation.