Batzelladine a

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Batzelladine a stable oxygenation prediction

Batzelladine a unstable oxygenation prediction

Batzelladine a dehydrogenation prediction

Batzelladine a reduction prediction

Batzelladine a hydrolysis prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=C(N)NCCCCOC(=O)C1=C2CCCN2C(=N)NC1CCCCCCCCCO Epoxidation prediction

Generation 2

epoxidation · 0.01

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=C1NC(CCCCCCCCCO)C(C(=O)OCCCCNC2(N)NO2)=C2CCCN12