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canSAR565381
FEATURES
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NAMES
    SMILES
    COc1ccccc1N1CCN(CCCCNC(=O)c2ccco2)CC1.O=C(O)/C=C/C(=O)O
    InChI
    InChI=1S/C20H27N3O3.C4H4O4/c1-25-18-8-3-2-7-17(18)23-14-12-22(13-15-23)11-5-4-10-21-20(24)19-9-6-16-26-19;5-3(6)1-2-4(7)8/h2-3,6-9,16H,4-5,10-15H2,1H3,(H,21,24);1-2H,(H,5,6)(H,7,8)/b;2-1+
    MOLECULAR FORMULA
    C24H31N3O7
    CROSS REFERENCES
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    canSAR565381

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 473.22
    AlogP 2.33
    HBond donors 3
    HBond acceptors 10
    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 canSAR565381.