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)C1=CNC(=O)C2(N)OC12 gsh prediction

N=CC=C(C=CO)C1=CNC(=O)C2(N)OC12 protein prediction

N=CC=C(C=CO)C1=CNC(=O)C2(N)OC12 cyanide prediction

N=CC=C(C=CO)C1=CNC(=O)C2(N)OC12 dna prediction

Generation 3

dna · 0.29

*C1C(C(C=CO)=CC=N)=CNC(=O)C1(N)O |$DNA;;;;;;;;;;;;;;;;$|