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canSAR2090540
FEATURES
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NAMES
    SMILES
    CC(=O)O[C@H](C[C@H](C[C@H](O)/C=C/c1ccccc1)OC(=O)O)C[C@H]1CC=CC(=O)O1
    InChI
    InChI=1S/C22H26O8/c1-15(23)28-20(13-18-8-5-9-21(25)29-18)14-19(30-22(26)27)12-17(24)11-10-16-6-3-2-4-7-16/h2-7,9-11,17-20,24H,8,12-14H2,1H3,(H,26,27)/b11-10+/t17-,18-,19+,20+/m1/s1
    MOLECULAR FORMULA
    C22H26O8
    CROSS REFERENCES
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    canSAR2090540

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 418.16
    AlogP 3.10
    HBond donors 2
    HBond acceptors 8
    Atoms 56
    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 canSAR2090540.