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canSAR1719305
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NAMES
    SMILES
    CCO[C@H]1OC(C(=O)O)=C[C@@H](c2coc3ccccc3c2=O)[C@@H]1CCCO
    InChI
    InChI=1S/C20H22O7/c1-2-25-20-12(7-5-9-21)14(10-17(27-20)19(23)24)15-11-26-16-8-4-3-6-13(16)18(15)22/h3-4,6,8,10-12,14,20-21H,2,5,7,9H2,1H3,(H,23,24)/t12-,14+,20-/m0/s1
    MOLECULAR FORMULA
    C20H22O7
    CROSS REFERENCES
    1719305 logo

    canSAR1719305

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 374.14
    AlogP 2.63
    HBond donors 2
    HBond acceptors 7
    Atoms 49
    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 canSAR1719305.