Amrinone

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Amrinone stable oxygenation prediction

Amrinone unstable oxygenation prediction

Amrinone dehydrogenation prediction

Amrinone reduction prediction

Amrinone hydrolysis prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

O=Nc1cc(-c2ccncc2)c[nH]c1=O Quinonation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

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

Generation 3

dealkylation · 0.04

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

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