Adp

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Adp Epoxidation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

NC12N=CN=C3N(C4OC(COP(=O)([O-])OP(=O)([O-])[O-])C(O)C4O)C=NC31O2 N-Dealkylation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=CN(C1=NC=NC2(N)OC12O)C1OC(COP(=O)([O-])OP(=O)([O-])[O-])C(O)C1O stable oxygenation prediction

N=CN(C1=NC=NC2(N)OC12O)C1OC(COP(=O)([O-])OP(=O)([O-])[O-])C(O)C1O unstable oxygenation prediction

N=CN(C1=NC=NC2(N)OC12O)C1OC(COP(=O)([O-])OP(=O)([O-])[O-])C(O)C1O dehydrogenation prediction

N=CN(C1=NC=NC2(N)OC12O)C1OC(COP(=O)([O-])OP(=O)([O-])[O-])C(O)C1O reduction prediction

N=CN(C1=NC=NC2(N)OC12O)C1OC(COP(=O)([O-])OP(=O)([O-])[O-])C(O)C1O hydrolysis prediction

Generation 3

dephosphorylation · 0.16

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=CN(C1=NC=NC2(N)OC12O)C1OC(CO[PH](=O)O)C(O)C1O