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

NC12CNC=C(c3ccncc3)C1O2 gsh prediction

NC12CNC=C(c3ccncc3)C1O2 protein prediction

NC12CNC=C(c3ccncc3)C1O2 cyanide prediction

NC12CNC=C(c3ccncc3)C1O2 dna prediction

Generation 3

dna · 0.41

*C1(N)CNC=C(c2ccncc2)C1O |$DNA;;;;;;;;;;;;;;$|