Amrinone

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Amrinone Quinonation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Nc1cc(C2=CC=NC(=O)C2=O)c[nH]c1=O Epoxidation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

NC12OC1C(C1=CC=NC(=O)C1=O)=CNC2=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)C1=CNC(=O)C2(N)OC12