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

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

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

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

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

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

Generation 4

glutathionation · 0.23

*C(C(=C=O)C1=CC=NC(=O)C1=O)C(N=O)=C(N)O |$GSH;;;;;;;;;;;;;;;;;;$|