Aclacinomycin s

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Aclacinomycin s stable oxygenation prediction

Aclacinomycin s unstable oxygenation prediction

Aclacinomycin s dehydrogenation prediction

Aclacinomycin s reduction prediction

Aclacinomycin s hydrolysis prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CCC1(O)CC(OC2CC([NH+](C)C)C(OC3CC(O)C(O)C(C)O3)C(C)O2)c2c(cc3c(c2[O-])C(=O)c2c(O)cccc2C3=O)C1C=O UGT Conjugation prediction

Generation 2

glucuronidation · 0.14

*OC1C(O)CC(OC2C(C)OC(OC3CC(O)(CC)C(C=O)c4cc5c(c([O-])c43)C(=O)c3c(O)cccc3C5=O)CC2[NH+](C)C)OC1C |$GlcA;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|