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)C2=C(C=C3C(=O)C4=CC5OC5C(O)=C4C([O-])=C3C2=O)C1C(=O)OC gsh prediction

CCC1(O)CC(OC2CC([NH+](C)C)C(OC3CC(O)C(O)C(C)O3)C(C)O2)C2=C(C=C3C(=O)C4=CC5OC5C(O)=C4C([O-])=C3C2=O)C1C(=O)OC protein prediction

CCC1(O)CC(OC2CC([NH+](C)C)C(OC3CC(O)C(O)C(C)O3)C(C)O2)C2=C(C=C3C(=O)C4=CC5OC5C(O)=C4C([O-])=C3C2=O)C1C(=O)OC cyanide prediction

CCC1(O)CC(OC2CC([NH+](C)C)C(OC3CC(O)C(O)C(C)O3)C(C)O2)C2=C(C=C3C(=O)C4=CC5OC5C(O)=C4C([O-])=C3C2=O)C1C(=O)OC dna prediction

Generation 2

glutathionation · 0.05

*C1C(O)=C2C(=CC1O)C(=O)C1=CC3=C(C(=O)C1=C2[O-])C(OC1CC([NH+](C)C)C(OC2CC(O)C(O)C(C)O2)C(C)O1)CC(O)(CC)C3C(=O)OC |$GSH;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|