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 Epoxidation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

NC1=C(C(=C=O)OC2OC(CO)C(O)C(O)C2O)C2(Cl)OC2(Br)C=C1 gsh prediction

NC1=C(C(=C=O)OC2OC(CO)C(O)C(O)C2O)C2(Cl)OC2(Br)C=C1 protein prediction

NC1=C(C(=C=O)OC2OC(CO)C(O)C(O)C2O)C2(Cl)OC2(Br)C=C1 cyanide prediction

NC1=C(C(=C=O)OC2OC(CO)C(O)C(O)C2O)C2(Cl)OC2(Br)C=C1 dna prediction

Generation 3

dna · 0.11

*C12OC1(Br)C=CC(N)=C2C(=C=O)OC1OC(CO)C(O)C(O)C1O |$DNA;;;;;;;;;;;;;;;;;;;;;;;;$|