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canSAR1124718
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NAMES
    SMILES
    CCOC(=O)c1[nH]c(Br)c(-c2ccc3cc(OCC)ccc3c2)c1Br
    InChI
    InChI=1S/C19H17Br2NO3/c1-3-24-14-8-7-11-9-13(6-5-12(11)10-14)15-16(20)17(22-18(15)21)19(23)25-4-2/h5-10,22H,3-4H2,1-2H3
    MOLECULAR FORMULA
    C19H17Br2NO3
    CROSS REFERENCES
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    canSAR1124718

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 464.96
    AlogP 5.94
    HBond donors 1
    HBond acceptors 4
    Atoms 42
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1124718.