Substrate
Generation 1
Generation 2

Bcig

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Bcig N-Dealkylation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Nc1ccc(Br)c(Cl)c1C(=C=O)OC1OC(CO)C(O)C(O)C1O gsh prediction

Nc1ccc(Br)c(Cl)c1C(=C=O)OC1OC(CO)C(O)C(O)C1O protein prediction

Nc1ccc(Br)c(Cl)c1C(=C=O)OC1OC(CO)C(O)C(O)C1O cyanide prediction

Nc1ccc(Br)c(Cl)c1C(=C=O)OC1OC(CO)C(O)C(O)C1O dna prediction

Generation 2

dna · 0.04

*c1ccc(N)c(C(=C=O)OC2OC(CO)C(O)C(O)C2O)c1Cl |$DNA;;;;;;;;;;;;;;;;;;;;;;;$|