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canSAR144721
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NAMES
    SMILES
    O=C(O)/C(=C/c1ccc(Oc2ccccc2Br)cc1)NC(=O)C12CC3CC(CC(C3)C1)C2
    InChI
    InChI=1S/C26H26BrNO4/c27-21-3-1-2-4-23(21)32-20-7-5-16(6-8-20)12-22(24(29)30)28-25(31)26-13-17-9-18(14-26)11-19(10-17)15-26/h1-8,12,17-19H,9-11,13-15H2,(H,28,31)(H,29,30)/b22-12-
    MOLECULAR FORMULA
    C26H26BrNO4
    CROSS REFERENCES
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    canSAR144721

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 495.10
    AlogP 6.00
    HBond donors 2
    HBond acceptors 5
    Atoms 58
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR144721.