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canSAR1129789
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NAMES
    SMILES
    CC(F)(F)c1ccc(S(=O)(=O)c2nnn3c2nc(NCc2ccsc2)c2sccc23)cc1
    InChI
    InChI=1S/C20H15F2N5O2S3/c1-20(21,22)13-2-4-14(5-3-13)32(28,29)19-18-24-17(23-10-12-6-8-30-11-12)16-15(7-9-31-16)27(18)26-25-19/h2-9,11H,10H2,1H3,(H,23,24)
    MOLECULAR FORMULA
    C20H15F2N5O2S3
    CROSS REFERENCES
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    canSAR1129789

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 491.04
    AlogP 4.96
    HBond donors 1
    HBond acceptors 7
    Atoms 47
    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 canSAR1129789.