Azure c cation

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Azure c cation N-Dealkylation prediction

Generation 1

Thionine(1+)

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Thionine(1+) Quinonation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=c1ccc2nc3c(sc-2c1)=CC(=[NH2+])C(=O)C=3 Epoxidation prediction

Generation 3

epoxidation · 0.02

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=C1C=CC2=NC3=CC(=O)C(=[NH2+])C4OC34SC2=C1