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canSAR345111
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NAMES
    SMILES
    CCOC1=C(C)C(=O)C(/C=C(\CCCCCc2cccnc2)C(=O)O)=C(C)C1=O
    InChI
    InChI=1S/C23H27NO5/c1-4-29-22-16(3)20(25)19(15(2)21(22)26)13-18(23(27)28)11-7-5-6-9-17-10-8-12-24-14-17/h8,10,12-14H,4-7,9,11H2,1-3H3,(H,27,28)/b18-13+
    MOLECULAR FORMULA
    C23H27NO5
    CROSS REFERENCES
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    canSAR345111

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 397.19
    AlogP 3.97
    HBond donors 1
    HBond acceptors 6
    Atoms 56
    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 canSAR345111.