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canSAR202114
FEATURES
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NAMES
    SMILES
    CCOc1cc(C/C(C(=O)c2ccc(OC)cc2)=C(/C(=O)O)c2ccc3c(c2)OCO3)cc(OCC)c1OCC
    InChI
    InChI=1S/C31H32O9/c1-5-36-26-15-19(16-27(37-6-2)30(26)38-7-3)14-23(29(32)20-8-11-22(35-4)12-9-20)28(31(33)34)21-10-13-24-25(17-21)40-18-39-24/h8-13,15-17H,5-7,14,18H2,1-4H3,(H,33,34)/b28-23-
    MOLECULAR FORMULA
    C31H32O9
    CROSS REFERENCES
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    canSAR202114

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 548.20
    AlogP 5.58
    HBond donors 1
    HBond acceptors 9
    Atoms 72
    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 canSAR202114.