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canSAR559274
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NAMES
    SMILES
    CC(C)c1ccc2c(CCC/C=N\NC(=O)Nc3ccccc3)cc(C(=O)[O-])c-2cc1.[Na+]
    InChI
    InChI=1S/C25H27N3O3.Na/c1-17(2)18-11-13-21-19(16-23(24(29)30)22(21)14-12-18)8-6-7-15-26-28-25(31)27-20-9-4-3-5-10-20;/h3-5,9-17H,6-8H2,1-2H3,(H,29,30)(H2,27,28,31);/q;+1/p-1/b26-15-;
    MOLECULAR FORMULA
    C25H26N3NaO3
    CROSS REFERENCES
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    canSAR559274

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 439.19
    AlogP 1.41
    HBond donors 2
    HBond acceptors 6
    Atoms 58
    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 canSAR559274.