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canSAR1768259
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NAMES
    SMILES
    CC1CCN(c2oc(Cc3cccc4ccccc34)nc2C#N)CC1
    InChI
    InChI=1S/C21H21N3O/c1-15-9-11-24(12-10-15)21-19(14-22)23-20(25-21)13-17-7-4-6-16-5-2-3-8-18(16)17/h2-8,15H,9-13H2,1H3
    MOLECULAR FORMULA
    C21H21N3O
    CROSS REFERENCES
    1768259 logo

    canSAR1768259

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 331.17
    AlogP 4.53
    HBond donors 0
    HBond acceptors 4
    Atoms 46
    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 canSAR1768259.