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canSAR1068292
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NAMES
    SMILES
    O=S(=O)(c1ccc(Cl)cc1)[C@]12CCO[C@H](CCO)[C@H]1COc1c(F)ccc(F)c12
    InChI
    InChI=1S/C20H19ClF2O5S/c21-12-1-3-13(4-2-12)29(25,26)20-8-10-27-17(7-9-24)14(20)11-28-19-16(23)6-5-15(22)18(19)20/h1-6,14,17,24H,7-11H2/t14-,17-,20-/m1/s1
    MOLECULAR FORMULA
    C20H19ClF2O5S
    CROSS REFERENCES
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    canSAR1068292

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 444.06
    AlogP 3.47
    HBond donors 1
    HBond acceptors 5
    Atoms 48
    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 canSAR1068292.