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(c1c[nH]c(=O)c(N)c1)C1OC1O gsh prediction

N=CC=C(c1c[nH]c(=O)c(N)c1)C1OC1O protein prediction

N=CC=C(c1c[nH]c(=O)c(N)c1)C1OC1O cyanide prediction

N=CC=C(c1c[nH]c(=O)c(N)c1)C1OC1O dna prediction

Generation 3

glutathionation · 0.91

*C(O)C(O)C(=CC=N)c1c[nH]c(=O)c(N)c1 |$GSH;;;;;;;;;;;;;;;;$|