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canSAR561813
FEATURES
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NAMES
    SMILES
    CNc1ccc(CCC(=O)c2c(O)cc(OCC(=O)[O-])cc2O)cc1O.[Na+]
    InChI
    InChI=1S/C18H19NO7.Na/c1-19-12-4-2-10(6-14(12)21)3-5-13(20)18-15(22)7-11(8-16(18)23)26-9-17(24)25;/h2,4,6-8,19,21-23H,3,5,9H2,1H3,(H,24,25);/q;+1/p-1
    MOLECULAR FORMULA
    C18H18NNaO7
    CROSS REFERENCES
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    canSAR561813

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 383.10
    AlogP -2.21
    HBond donors 4
    HBond acceptors 8
    Atoms 45
    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 canSAR561813.