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canSAR650088
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NAMES
    SMILES
    COc1cc(OC)c(C(=O)/C=C/c2cccc(Br)c2)c(O)c1CN1CCCC1
    InChI
    InChI=1S/C22H24BrNO4/c1-27-19-13-20(28-2)21(22(26)17(19)14-24-10-3-4-11-24)18(25)9-8-15-6-5-7-16(23)12-15/h5-9,12-13,26H,3-4,10-11,14H2,1-2H3/b9-8+
    MOLECULAR FORMULA
    C22H24BrNO4
    CROSS REFERENCES
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    canSAR650088

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 445.09
    AlogP 4.66
    HBond donors 1
    HBond acceptors 5
    Atoms 52
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR650088.