Batzelladine a

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Batzelladine a Epoxidation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CCCCCCCCCC1CC2CCC3C(C(=O)OCCCCCCCCCC4NC(=N)N5CCCC5=C4C(=O)OCCCCNC(=N)N)C(C)N4OC4(N1)N23 N-Dealkylation prediction

Generation 2

dealkylation · 0.77

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CCCCCCCCCC(N)CC1CCC2C(C(=O)OCCCCCCCCCC3NC(=N)N4CCCC4=C3C(=O)OCCCCNC(=N)N)C(C)N3OC3(O)N12