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=C=O)c1c[nH]c(=O)c(N)c1 stable oxygenation prediction

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

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

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

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

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

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

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

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

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

Generation 3

dna · 0.46

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