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canSAR914092
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NAMES
    SMILES
    Cc1ccccc1/C(=C\CCN1CCC[C@@H](C(=O)O)C1)c1ccccc1
    InChI
    InChI=1S/C23H27NO2/c1-18-9-5-6-13-21(18)22(19-10-3-2-4-11-19)14-8-16-24-15-7-12-20(17-24)23(25)26/h2-6,9-11,13-14,20H,7-8,12,15-17H2,1H3,(H,25,26)/b22-14-/t20-/m1/s1
    MOLECULAR FORMULA
    C23H27NO2
    CROSS REFERENCES
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    canSAR914092

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 349.20
    AlogP 4.61
    HBond donors 1
    HBond acceptors 3
    Atoms 53
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR914092.