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canSAR115705
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NAMES
    SMILES
    COC1=C(/C=C(\CCCCCc2cccnc2)C(=O)O)C(=O)C(C)=C(C)C1=O
    InChI
    InChI=1S/C22H25NO5/c1-14-15(2)20(25)21(28-3)18(19(14)24)12-17(22(26)27)10-6-4-5-8-16-9-7-11-23-13-16/h7,9,11-13H,4-6,8,10H2,1-3H3,(H,26,27)/b17-12+
    MOLECULAR FORMULA
    C22H25NO5
    CROSS REFERENCES
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    canSAR115705

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 383.17
    AlogP 3.58
    HBond donors 1
    HBond acceptors 6
    Atoms 53
    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 canSAR115705.