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canSAR984496
FEATURES
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NAMES
    SMILES
    CCCC(=O)O[C@@H]1C(OCc2ccc3ccccc3c2)=C[C@@](O)(C(=O)OCC)C[C@H]1OC(=O)CCC
    InChI
    InChI=1S/C28H34O8/c1-4-9-24(29)35-23-17-28(32,27(31)33-6-3)16-22(26(23)36-25(30)10-5-2)34-18-19-13-14-20-11-7-8-12-21(20)15-19/h7-8,11-16,23,26,32H,4-6,9-10,17-18H2,1-3H3/t23-,26-,28+/m1/s1
    MOLECULAR FORMULA
    C28H34O8
    CROSS REFERENCES
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    canSAR984496

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 498.23
    AlogP 4.36
    HBond donors 1
    HBond acceptors 8
    Atoms 70
    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 canSAR984496.