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(C2C=CN=CC2O)c[nH]c1=O Quinonation prediction

Generation 3

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

NC1=CC(=C2C=CN=CC2O)C(=O)NC1=O N-Dealkylation prediction

Generation 4

dealkylation · 0.01

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

NC(=O)C(N)=CC(C(=O)O)=C1C=CN=CC1O