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canSAR396470
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NAMES
    SMILES
    CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1
    InChI
    InChI=1S/C21H29NO4/c1-2-3-4-5-19(23)12-10-18-11-13-20(24)22(18)15-14-16-6-8-17(9-7-16)21(25)26/h6-10,12,18-19,23H,2-5,11,13-15H2,1H3,(H,25,26)/b12-10+/t18-,19-/m0/s1
    MOLECULAR FORMULA
    C21H29NO4
    CROSS REFERENCES
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    canSAR396470

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 359.21
    AlogP 3.42
    HBond donors 2
    HBond acceptors 5
    Atoms 55
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR396470.