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canSAR1402505
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NAMES
    SMILES
    CCN1CCN(c2nc3ccccc3nc2C(C#N)S(=O)(=O)c2ccc(C)cc2)CC1
    InChI
    InChI=1S/C23H25N5O2S/c1-3-27-12-14-28(15-13-27)23-22(25-19-6-4-5-7-20(19)26-23)21(16-24)31(29,30)18-10-8-17(2)9-11-18/h4-11,21H,3,12-15H2,1-2H3
    MOLECULAR FORMULA
    C23H25N5O2S
    CROSS REFERENCES
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    canSAR1402505

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 435.17
    AlogP 3.12
    HBond donors 0
    HBond acceptors 7
    Atoms 56
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1402505.