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canSAR786776
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NAMES
    SMILES
    CCCN1CCc2cc(OC)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3
    InChI
    InChI=1S/C20H23NO3/c1-3-7-21-8-6-13-9-14(24-2)11-15-18(13)16(21)10-12-4-5-17(22)20(23)19(12)15/h4-5,9,11,16,22-23H,3,6-8,10H2,1-2H3/t16-/m1/s1
    MOLECULAR FORMULA
    C20H23NO3
    CROSS REFERENCES
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    canSAR786776

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 325.17
    AlogP 3.64
    HBond donors 2
    HBond acceptors 4
    Atoms 47
    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 canSAR786776.