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canSAR1143928
FEATURES
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NAMES
    SMILES
    CCC(CC)C(=O)Nc1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)ccc1OCC(=O)O
    InChI
    InChI=1S/C23H26N2O7/c1-3-15(4-2)23(31)25-17-12-16(7-9-20(17)32-13-22(29)30)24-21(28)10-6-14-5-8-18(26)19(27)11-14/h5-12,15,26-27H,3-4,13H2,1-2H3,(H,24,28)(H,25,31)(H,29,30)/b10-6+
    MOLECULAR FORMULA
    C23H26N2O7
    CROSS REFERENCES
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    canSAR1143928

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 442.17
    AlogP 3.59
    HBond donors 5
    HBond acceptors 9
    Atoms 58
    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 canSAR1143928.