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canSAR84607
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NAMES
    SMILES
    COC1C(COCC(C)C)O[C@@H](OCC(=O)O)[C@H](OCc2ccccc2)[C@H]1OC
    InChI
    InChI=1S/C21H32O8/c1-14(2)10-26-12-16-18(24-3)19(25-4)20(21(29-16)28-13-17(22)23)27-11-15-8-6-5-7-9-15/h5-9,14,16,18-21H,10-13H2,1-4H3,(H,22,23)/t16?,18?,19-,20+,21+/m0/s1
    MOLECULAR FORMULA
    C21H32O8
    CROSS REFERENCES
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    canSAR84607

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 412.21
    AlogP 2.10
    HBond donors 1
    HBond acceptors 8
    Atoms 61
    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 canSAR84607.