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canSAR144422
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NAMES
    SMILES
    Cc1cc(/C=C/C#N)cc(Cl)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1
    InChI
    InChI=1S/C21H15ClN6/c1-14-11-16(3-2-9-23)12-18(22)20(14)27-19-8-10-25-21(28-19)26-17-6-4-15(13-24)5-7-17/h2-8,10-12H,1H3,(H2,25,26,27,28)/b3-2+
    MOLECULAR FORMULA
    C21H15ClN6
    CROSS REFERENCES
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    canSAR144422

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 386.10
    AlogP 5.33
    HBond donors 2
    HBond acceptors 6
    Atoms 43
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR144422.