Amrinone

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Amrinone Epoxidation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

NC12OC1C(c1ccncc1)=CNC2=O Quinonation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

NC12OC1C(C1=CC(=O)N=CC1=O)=CNC2=O stable oxygenation prediction

NC12OC1C(C1=CC(=O)N=CC1=O)=CNC2=O unstable oxygenation prediction

NC12OC1C(C1=CC(=O)N=CC1=O)=CNC2=O dehydrogenation prediction

NC12OC1C(C1=CC(=O)N=CC1=O)=CNC2=O reduction prediction

NC12OC1C(C1=CC(=O)N=CC1=O)=CNC2=O hydrolysis prediction

Generation 3

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

NC12OC1C(C1=CC(=O)N=CC1O)=CNC2=O N-Dealkylation prediction

Generation 4

dealkylation · 0.69

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

O=C1C=C(C2=CNC(=O)C3(O)OC23)C(O)C=N1