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canSAR839325
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NAMES
    SMILES
    C=CCCCC1c2[nH]c3cc(Br)ccc3c2CCN1C
    InChI
    InChI=1S/C17H21BrN2/c1-3-4-5-6-16-17-14(9-10-20(16)2)13-8-7-12(18)11-15(13)19-17/h3,7-8,11,16,19H,1,4-6,9-10H2,2H3
    MOLECULAR FORMULA
    C17H21BrN2
    CROSS REFERENCES
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    canSAR839325

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 332.09
    AlogP 4.82
    HBond donors 1
    HBond acceptors 2
    Atoms 41
    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 canSAR839325.