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 gsh prediction

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

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

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

Generation 3

glutathionation · 0.55

*C1NC(=O)C(N)=CC1(O)C(C=CO)=CC=N |$GSH;;;;;;;;;;;;;;;;$|