Amrinone

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Amrinone Epoxidation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

NC12OC1C(c1ccncc1)=CNC2=O stable oxygenation prediction

NC12OC1C(c1ccncc1)=CNC2=O unstable oxygenation prediction

NC12OC1C(c1ccncc1)=CNC2=O dehydrogenation prediction

NC12OC1C(c1ccncc1)=CNC2=O reduction prediction

NC12OC1C(c1ccncc1)=CNC2=O hydrolysis prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

O=C1NC=C(c2ccncc2)C2OC12O N-Dealkylation prediction

Generation 3

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

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

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

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

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

Generation 4

dna · 0.24

*C1(O)C(=O)NC=C(C(C=CO)=CC=N)C1O |$DNA;;;;;;;;;;;;;;;;$|