Amrinone

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Amrinone Epoxidation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Nc1cc(C2=CC3ON3C=C2)c[nH]c1=O stable oxygenation prediction

Nc1cc(C2=CC3ON3C=C2)c[nH]c1=O unstable oxygenation prediction

Nc1cc(C2=CC3ON3C=C2)c[nH]c1=O dehydrogenation prediction

Nc1cc(C2=CC3ON3C=C2)c[nH]c1=O reduction prediction

Nc1cc(C2=CC3ON3C=C2)c[nH]c1=O hydrolysis prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Nc1cc(C2=CC(O)ONC=C2)c[nH]c1=O N-Dealkylation prediction

Generation 3

dealkylation · 0.01

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

NOC(O)C=C(C=CO)c1c[nH]c(=O)c(N)c1