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canSAR220461
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NAMES
    SMILES
    Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3ccc(Br)cc3)c12
    InChI
    InChI=1S/C22H19BrN6O/c23-16-4-1-14(2-5-16)17-11-18(28-22-20(17)21(24)26-13-27-22)15-3-6-19(25-12-15)29-7-9-30-10-8-29/h1-6,11-13H,7-10H2,(H2,24,26,27,28)
    MOLECULAR FORMULA
    C22H19BrN6O
    CROSS REFERENCES
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    canSAR220461

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 462.08
    AlogP 3.94
    HBond donors 2
    HBond acceptors 7
    Atoms 49
    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 canSAR220461.