Aclacinomycin s

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Aclacinomycin s Epoxidation 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([cH-]c3c(c2=O)C(=O)C2=C(C=CC4OC24O)C3=O)C1C(=O)OC UGT Conjugation prediction

Generation 2

glucuronidation · 0.22

*OC1CC(OC2C(C)OC(OC3CC(O)(CC)C(C(=O)OC)c4[cH-]c5c(c(=O)c43)C(=O)C3=C(C=CC4OC34O)C5=O)CC2[NH+](C)C)OC(C)C1O |$GlcA;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|