Adp

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Adp Epoxidation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

NC1=c2ncn(C3OC(COP(=O)([O-])OP(=O)([O-])[O-])C(O)C3O)c2=NC2ON12 stable oxygenation prediction

NC1=c2ncn(C3OC(COP(=O)([O-])OP(=O)([O-])[O-])C(O)C3O)c2=NC2ON12 unstable oxygenation prediction

NC1=c2ncn(C3OC(COP(=O)([O-])OP(=O)([O-])[O-])C(O)C3O)c2=NC2ON12 dehydrogenation prediction

NC1=c2ncn(C3OC(COP(=O)([O-])OP(=O)([O-])[O-])C(O)C3O)c2=NC2ON12 reduction prediction

NC1=c2ncn(C3OC(COP(=O)([O-])OP(=O)([O-])[O-])C(O)C3O)c2=NC2ON12 hydrolysis prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=C1C(=C(N)N2OC2=O)N=CN1C1OC(COP(=O)([O-])OP(=O)([O-])[O-])C(O)C1O N-Dealkylation prediction

Generation 3

dealkylation · 0.13

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=C1C(=C(N)NOC(=O)O)N=CN1C1OC(COP(=O)([O-])OP(=O)([O-])[O-])C(O)C1O