Amrinone

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Amrinone Epoxidation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Nc1cc(C2=CC3ON3C=C2)c[nH]c1=O N-Dealkylation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Nc1cc(C2=CC(O)ONC=C2)c[nH]c1=O UGT Conjugation prediction

Generation 3

glucuronidation · 0.89

*OC1C=C(c2c[nH]c(=O)c(N)c2)C=CNO1 |$GlcA;;;;;;;;;;;;;;;;$|