canSAR2094746
FEATURES
Loading...
NAMES
    SMILES
    C=C1C(=O)O[C@H]2[C@H]1CC/C(COC(=O)c1coc(-c3ccc(Br)cc3)c1)=C/CC[C@@]1(C)O[C@@H]21
    InChI
    InChI=1S/C26H25BrO6/c1-15-20-10-5-16(4-3-11-26(2)23(33-26)22(20)32-24(15)28)13-31-25(29)18-12-21(30-14-18)17-6-8-19(27)9-7-17/h4,6-9,12,14,20,22-23H,1,3,5,10-11,13H2,2H3/b16-4-/t20-,22-,23-,26+/m0/s1
    MOLECULAR FORMULA
    C26H25BrO6
    CROSS REFERENCES
    Loading...
    canSAR2094746
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight512.08
    AlogP5.62
    HBond donors0
    HBond acceptors6
    Atoms58
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2094746.