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canSAR1975404
FEATURES
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NAMES
    SMILES
    CCOC(=O)C1(C)C=C(Nc2cccc(C(=O)O)c2)C(=O)N1c1cccc(C(=O)O)c1
    InChI
    InChI=1S/C22H20N2O7/c1-3-31-21(30)22(2)12-17(23-15-8-4-6-13(10-15)19(26)27)18(25)24(22)16-9-5-7-14(11-16)20(28)29/h4-12,23H,3H2,1-2H3,(H,26,27)(H,28,29)
    MOLECULAR FORMULA
    C22H20N2O7
    CROSS REFERENCES
    1975404 logo

    canSAR1975404

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 424.13
    AlogP 2.75
    HBond donors 3
    HBond acceptors 9
    Atoms 51
    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 canSAR1975404.