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canSAR343725
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NAMES
    SMILES
    C[C@@H]1CCCC/C1=N/Nc1nc(-c2ccc(F)cc2F)cs1
    InChI
    InChI=1S/C16H17F2N3S/c1-10-4-2-3-5-14(10)20-21-16-19-15(9-22-16)12-7-6-11(17)8-13(12)18/h6-10H,2-5H2,1H3,(H,19,21)/b20-14-/t10-/m1/s1
    MOLECULAR FORMULA
    C16H17F2N3S
    CROSS REFERENCES
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    canSAR343725

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 321.11
    AlogP 5.07
    HBond donors 1
    HBond acceptors 3
    Atoms 39
    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 canSAR343725.