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canSAR787595
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NAMES
    SMILES
    CCN1CCC[C@@H](c2cccc(OS(=O)(=O)C(F)(F)F)c2)C1
    InChI
    InChI=1S/C14H18F3NO3S/c1-2-18-8-4-6-12(10-18)11-5-3-7-13(9-11)21-22(19,20)14(15,16)17/h3,5,7,9,12H,2,4,6,8,10H2,1H3/t12-/m1/s1
    MOLECULAR FORMULA
    C14H18F3NO3S
    CROSS REFERENCES
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    canSAR787595

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 337.10
    AlogP 3.11
    HBond donors 0
    HBond acceptors 4
    Atoms 40
    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 canSAR787595.