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canSAR461801
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NAMES
    SMILES
    CCCCn1cnc2c(NCc3ccc(Br)cc3)nc(C#N)nc21
    InChI
    InChI=1S/C17H17BrN6/c1-2-3-8-24-11-21-15-16(22-14(9-19)23-17(15)24)20-10-12-4-6-13(18)7-5-12/h4-7,11H,2-3,8,10H2,1H3,(H,20,22,23)
    MOLECULAR FORMULA
    C17H17BrN6
    CROSS REFERENCES
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    canSAR461801

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 384.07
    AlogP 3.87
    HBond donors 1
    HBond acceptors 6
    Atoms 41
    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 canSAR461801.