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canSAR659665
FEATURES
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NAMES
    SMILES
    CC(C)CC(=O)c1c(O)c(C(=O)CC(C)C)c(O)c(C(c2ccccc2)c2c(O)c(C(=O)CC(C)C)c(O)c(C(=O)CC(C)C)c2O)c1O
    InChI
    InChI=1S/C39H48O10/c1-18(2)14-23(40)28-34(44)29(24(41)15-19(3)4)37(47)32(36(28)46)27(22-12-10-9-11-13-22)33-38(48)30(25(42)16-20(5)6)35(45)31(39(33)49)26(43)17-21(7)8/h9-13,18-21,27,44-49H,14-17H2,1-8H3
    MOLECULAR FORMULA
    C39H48O10
    CROSS REFERENCES
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    canSAR659665

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 676.32
    AlogP 8.02
    HBond donors 6
    HBond acceptors 10
    Atoms 97
    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 canSAR659665.