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

NC=C(C=C(N)C(=O)O)c1ccncc1 Epoxidation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

NC=C(C=C(N)C(=O)O)C1=CC=NC2OC12 gsh prediction

NC=C(C=C(N)C(=O)O)C1=CC=NC2OC12 protein prediction

NC=C(C=C(N)C(=O)O)C1=CC=NC2OC12 cyanide prediction

NC=C(C=C(N)C(=O)O)C1=CC=NC2OC12 dna prediction

Generation 3

dna · 0.51

*C(C(=CN)C1=CC=NC2OC12)C(N)=C(O)O |$DNA;;;;;;;;;;;;;;;;$|