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canSAR1638189
FEATURES
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NAMES
    SMILES
    Cc1cccc(CN(CC(=O)[O-])Cc2ccc(C(=O)[O-])c(C(=O)[O-])c2)c1.[Na+].[Na+].[Na+]
    InChI
    InChI=1S/C19H19NO6.3Na/c1-12-3-2-4-13(7-12)9-20(11-17(21)22)10-14-5-6-15(18(23)24)16(8-14)19(25)26;;;/h2-8H,9-11H2,1H3,(H,21,22)(H,23,24)(H,25,26);;;/q;3*+1/p-3
    MOLECULAR FORMULA
    C19H16NNa3O6
    CROSS REFERENCES
    1638189 logo

    canSAR1638189

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 423.07
    AlogP -10.51
    HBond donors 0
    HBond acceptors 7
    Atoms 45
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1638189.