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canSAR558558
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NAMES
    SMILES
    O=C(O)/C=C\C(=O)O.c1ccc(CCCOCC2CCN(Cc3ccccc3)CC2)cc1
    InChI
    InChI=1S/C22H29NO.C4H4O4/c1-3-8-20(9-4-1)12-7-17-24-19-22-13-15-23(16-14-22)18-21-10-5-2-6-11-21;5-3(6)1-2-4(7)8/h1-6,8-11,22H,7,12-19H2;1-2H,(H,5,6)(H,7,8)/b;2-1-
    MOLECULAR FORMULA
    C26H33NO5
    CROSS REFERENCES
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    canSAR558558

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 439.24
    AlogP 4.26
    HBond donors 2
    HBond acceptors 6
    Atoms 65
    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 canSAR558558.