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canSAR1770043
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NAMES
    SMILES
    COc1cc(N2CCCCC2)ccc1/C=C(\C#N)C(=O)[O-].[Na+]
    InChI
    InChI=1S/C16H18N2O3.Na/c1-21-15-10-14(18-7-3-2-4-8-18)6-5-12(15)9-13(11-17)16(19)20;/h5-6,9-10H,2-4,7-8H2,1H3,(H,19,20);/q;+1/p-1/b13-9+;
    MOLECULAR FORMULA
    C16H17N2NaO3
    CROSS REFERENCES
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    canSAR1770043

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 308.11
    AlogP -1.65
    HBond donors 0
    HBond acceptors 5
    Atoms 39
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1770043.