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canSAR840093
FEATURES
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NAMES
    SMILES
    COC(C=C(C)C)[C@@H]1CC[C@@H](C)[C@](O)(C(=O)C(=O)N2CCCC[C@H]2C(=O)OCc2ccccc2)C1
    InChI
    InChI=1S/C28H39NO6/c1-19(2)16-24(34-4)22-14-13-20(3)28(33,17-22)25(30)26(31)29-15-9-8-12-23(29)27(32)35-18-21-10-6-5-7-11-21/h5-7,10-11,16,20,22-24,33H,8-9,12-15,17-18H2,1-4H3/t20-,22-,23+,24?,28+/m1/s1
    MOLECULAR FORMULA
    C28H39NO6
    CROSS REFERENCES
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    canSAR840093

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 485.28
    AlogP 3.83
    HBond donors 1
    HBond acceptors 7
    Atoms 74
    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 canSAR840093.