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canSAR1024526
FEATURES
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NAMES
    SMILES
    CCCCOc1cc2c(c(OCCCC)c1OC)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O
    InChI
    InChI=1S/C22H32O9/c1-4-6-8-28-13-10-12-15(19(18(13)27-3)29-9-7-5-2)20-21(31-22(12)26)17(25)16(24)14(11-23)30-20/h10,14,16-17,20-21,23-25H,4-9,11H2,1-3H3/t14-,16-,17+,20+,21-/m1/s1
    MOLECULAR FORMULA
    C22H32O9
    CROSS REFERENCES
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    canSAR1024526

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 440.20
    AlogP 1.75
    HBond donors 3
    HBond acceptors 9
    Atoms 63
    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 canSAR1024526.