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canSAR502832
FEATURES
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NAMES
    SMILES
    COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3OC1CC(NCCO)C(O)C(C)O1
    InChI
    InChI=1S/C29H33NO12/c1-12-24(34)15(30-6-7-31)8-19(41-12)42-17-10-29(39,18(33)11-32)9-14-21(17)28(38)23-22(26(14)36)25(35)13-4-3-5-16(40-2)20(13)27(23)37/h3-5,12,15,17,19,24,30-32,34,36,38-39H,6-11H2,1-2H3/t12?,15?,17-,19?,24?,29-/m0/s1
    MOLECULAR FORMULA
    C29H33NO12
    CROSS REFERENCES
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    canSAR502832

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 587.20
    AlogP -0.38
    HBond donors 7
    HBond acceptors 13
    Atoms 75
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR502832.