Apinocaltamide

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Apinocaltamide Epoxidation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N#CC12C=NC(Cn3ccc(NC(=O)Cc4ccc(C5(C(F)(F)F)CC5)cc4)n3)=CC1O2 gsh prediction

N#CC12C=NC(Cn3ccc(NC(=O)Cc4ccc(C5(C(F)(F)F)CC5)cc4)n3)=CC1O2 protein prediction

N#CC12C=NC(Cn3ccc(NC(=O)Cc4ccc(C5(C(F)(F)F)CC5)cc4)n3)=CC1O2 cyanide prediction

N#CC12C=NC(Cn3ccc(NC(=O)Cc4ccc(C5(C(F)(F)F)CC5)cc4)n3)=CC1O2 dna prediction

Generation 2

dna · 0.11

*C1C=C(Cn2ccc(NC(=O)Cc3ccc(C4(C(F)(F)F)CC4)cc3)n2)N=CC1(O)C#N |$DNA;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|