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canSAR1444120
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NAMES
    SMILES
    CCN1CCN(C2=C(Nc3ccc(Br)cc3)C(=O)c3ccccc3C2=O)CC1
    InChI
    InChI=1S/C22H22BrN3O2/c1-2-25-11-13-26(14-12-25)20-19(24-16-9-7-15(23)8-10-16)21(27)17-5-3-4-6-18(17)22(20)28/h3-10,24H,2,11-14H2,1H3
    MOLECULAR FORMULA
    C22H22BrN3O2
    CROSS REFERENCES
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    canSAR1444120

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 439.09
    AlogP 3.79
    HBond donors 1
    HBond acceptors 5
    Atoms 50
    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 canSAR1444120.