Amrinone

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Amrinone N-Dealkylation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

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

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=CC=C(C=CO)C12C=C(N)C(=O)NC1O2 stable oxygenation prediction

N=CC=C(C=CO)C12C=C(N)C(=O)NC1O2 unstable oxygenation prediction

N=CC=C(C=CO)C12C=C(N)C(=O)NC1O2 dehydrogenation prediction

N=CC=C(C=CO)C12C=C(N)C(=O)NC1O2 reduction prediction

N=CC=C(C=CO)C12C=C(N)C(=O)NC1O2 hydrolysis prediction

Generation 3

epoxidation · 0.11

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

NC1=CC2(C(C=CO)=CC3NO3)OC2NC1=O