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=C1C=c2sc3cc(=[NH2+])ccc-3nc2=CC1=O stable oxygenation prediction

N=C1C=c2sc3cc(=[NH2+])ccc-3nc2=CC1=O unstable oxygenation prediction

N=C1C=c2sc3cc(=[NH2+])ccc-3nc2=CC1=O dehydrogenation prediction

N=C1C=c2sc3cc(=[NH2+])ccc-3nc2=CC1=O reduction prediction

N=C1C=c2sc3cc(=[NH2+])ccc-3nc2=CC1=O hydrolysis prediction

Generation 3

hydrogenation · 0.28

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=C1C=C2SC3=CC([NH3+])C=CC3=NC2=CC1=O