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

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

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=CC=C(C=C=O)C1=CC(=N)C(=O)NC1=O gsh prediction

N=CC=C(C=C=O)C1=CC(=N)C(=O)NC1=O protein prediction

N=CC=C(C=C=O)C1=CC(=N)C(=O)NC1=O cyanide prediction

N=CC=C(C=C=O)C1=CC(=N)C(=O)NC1=O dna prediction

Generation 3

glutathionation · 0.15

*C1C(=N)C(=O)NC(O)=C1C(C=C=O)=CC=N |$GSH;;;;;;;;;;;;;;;;$|