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canSAR394966
FEATURES
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NAMES
    SMILES
    O=C(O)[C@]1(OCc2ccc(-c3ccccc3C(F)(F)F)cc2)C[C@@H](O)[C@@H](O)[C@H](O)C1
    InChI
    InChI=1S/C21H21F3O6/c22-21(23,24)15-4-2-1-3-14(15)13-7-5-12(6-8-13)11-30-20(19(28)29)9-16(25)18(27)17(26)10-20/h1-8,16-18,25-27H,9-11H2,(H,28,29)/t16-,17-,18-,20+/m1/s1
    MOLECULAR FORMULA
    C21H21F3O6
    CROSS REFERENCES
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    canSAR394966

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 426.13
    AlogP 2.59
    HBond donors 4
    HBond acceptors 6
    Atoms 51
    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 canSAR394966.