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canSAR2096923
FEATURES
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NAMES
    SMILES
    N[C@H]1C[C@@H](N2Cc3cn(S(=O)(=O)C4CCCC4)nc3C2)CO[C@@H]1c1cc(F)ccc1F
    InChI
    InChI=1S/C21H26F2N4O3S/c22-14-5-6-18(23)17(7-14)21-19(24)8-15(12-30-21)26-9-13-10-27(25-20(13)11-26)31(28,29)16-3-1-2-4-16/h5-7,10,15-16,19,21H,1-4,8-9,11-12,24H2/t15-,19+,21-/m1/s1
    MOLECULAR FORMULA
    C21H26F2N4O3S
    CROSS REFERENCES
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    canSAR2096923

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 452.17
    AlogP 2.45
    HBond donors 2
    HBond acceptors 7
    Atoms 57
    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 canSAR2096923.