Amp morpholidate

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Amp morpholidate Quinonation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=C1N=CN=C2C1=NC(=O)N2C1OC(COP(=O)(O)N2CCOCC2)C(O)C1O Epoxidation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=C1C2=NC(=O)N(C3OC(COP(=O)(O)N4CCOCC4)C(O)C3O)C2=NC2ON12 stable oxygenation prediction

N=C1C2=NC(=O)N(C3OC(COP(=O)(O)N4CCOCC4)C(O)C3O)C2=NC2ON12 unstable oxygenation prediction

N=C1C2=NC(=O)N(C3OC(COP(=O)(O)N4CCOCC4)C(O)C3O)C2=NC2ON12 dehydrogenation prediction

N=C1C2=NC(=O)N(C3OC(COP(=O)(O)N4CCOCC4)C(O)C3O)C2=NC2ON12 reduction prediction

N=C1C2=NC(=O)N(C3OC(COP(=O)(O)N4CCOCC4)C(O)C3O)C2=NC2ON12 hydrolysis prediction

Generation 3

dealkylation · 0.11

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=C(C1=NC(=O)N(C2OC(COP(=O)(O)N3CCOCC3)C(O)C2O)C1=N)N1OC1=O