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canSAR2207641
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NAMES
    SMILES
    COc1cc(CO)cc(CN2CCc3cccc(CCc4ccc(C(=O)O)cc4)c32)c1
    InChI
    InChI=1S/C26H27NO4/c1-31-24-14-19(13-20(15-24)17-28)16-27-12-11-22-4-2-3-21(25(22)27)8-5-18-6-9-23(10-7-18)26(29)30/h2-4,6-7,9-10,13-15,28H,5,8,11-12,16-17H2,1H3,(H,29,30)
    MOLECULAR FORMULA
    C26H27NO4
    CROSS REFERENCES
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    canSAR2207641

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 417.19
    AlogP 4.23
    HBond donors 2
    HBond acceptors 5
    Atoms 58
    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 canSAR2207641.