Amrinone

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Amrinone Quinonation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Nc1cc(C2=CC=NC(=O)C2=O)c[nH]c1=O Epoxidation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

NC12OC1C(C1=CC=NC(=O)C1=O)=CNC2=O N-Dealkylation prediction

Generation 3

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

NC(=O)C1(N)OC1C(=C=O)C1=CC=NC(=O)C1=O gsh prediction

NC(=O)C1(N)OC1C(=C=O)C1=CC=NC(=O)C1=O protein prediction

NC(=O)C1(N)OC1C(=C=O)C1=CC=NC(=O)C1=O cyanide prediction

NC(=O)C1(N)OC1C(=C=O)C1=CC=NC(=O)C1=O dna prediction

Generation 4

glutathionation · 0.29

*C(C(=C=O)C1=CC=NC(=O)C1=O)C(N)(O)C(N)=O |$GSH;;;;;;;;;;;;;;;;;;$|