Acivicin

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Acivicin Epoxidation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

NC(C(=O)O)C1CC2(Cl)ON2O1 stable oxygenation prediction

NC(C(=O)O)C1CC2(Cl)ON2O1 unstable oxygenation prediction

NC(C(=O)O)C1CC2(Cl)ON2O1 dehydrogenation prediction

NC(C(=O)O)C1CC2(Cl)ON2O1 reduction prediction

NC(C(=O)O)C1CC2(Cl)ON2O1 hydrolysis prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

NC(C(=O)O)C(O)CC(N)(O)Cl gsh prediction

NC(C(=O)O)C(O)CC(N)(O)Cl protein prediction

NC(C(=O)O)C(O)CC(N)(O)Cl cyanide prediction

NC(C(=O)O)C(O)CC(N)(O)Cl dna prediction

Generation 3

cyanide · 0.04

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