canSAR86849
FEATURES
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NAMES
    SMILES
    CCC[C@H]1OC(O)=C2C1=NC1=C(C(=O)COC1)[C@H]2c1ccc(C)c(Br)c1
    InChI
    InChI=1S/C20H20BrNO4/c1-3-4-15-19-18(20(24)26-15)16(11-6-5-10(2)12(21)7-11)17-13(22-19)8-25-9-14(17)23/h5-7,15-16,24H,3-4,8-9H2,1-2H3/t15-,16-/m1/s1
    MOLECULAR FORMULA
    C20H20BrNO4
    CROSS REFERENCES
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    canSAR86849
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight417.06
    AlogP4.12
    HBond donors1
    HBond acceptors5
    Atoms46
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR86849.