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canSAR1099561
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NAMES
    SMILES
    Oc1ccc(Br)cc1CN1CCN(c2nc(-c3ccccc3)nc3ccccc23)CC1
    InChI
    InChI=1S/C25H23BrN4O/c26-20-10-11-23(31)19(16-20)17-29-12-14-30(15-13-29)25-21-8-4-5-9-22(21)27-24(28-25)18-6-2-1-3-7-18/h1-11,16,31H,12-15,17H2
    MOLECULAR FORMULA
    C25H23BrN4O
    CROSS REFERENCES
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    canSAR1099561

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 474.11
    AlogP 5.09
    HBond donors 1
    HBond acceptors 5
    Atoms 54
    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 canSAR1099561.