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(C23C=CN=CC2O3)c[nH]c1=O stable oxygenation prediction

Nc1cc(C23C=CN=CC2O3)c[nH]c1=O unstable oxygenation prediction

Nc1cc(C23C=CN=CC2O3)c[nH]c1=O dehydrogenation prediction

Nc1cc(C23C=CN=CC2O3)c[nH]c1=O reduction prediction

Nc1cc(C23C=CN=CC2O3)c[nH]c1=O hydrolysis prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Nc1cc(C2(O)C=CN=CC2O)c[nH]c1=O Quinonation prediction

Generation 3

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=C1C(=O)NC=C(C2(O)C=CN=CC2O)C1=O N-Dealkylation prediction

Generation 4

dealkylation · 0.07

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=CC(O)C(O)(C=CO)C1=CNC(=O)C(=N)C1=O