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canSAR1962250
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NAMES
    SMILES
    CN(Cc1ccc(-c2nccnc2N[SH](=O)(O)c2ccccc2C(F)(F)F)cc1)c1ccc(C#N)cc1
    InChI
    InChI=1S/C26H22F3N5O2S/c1-34(21-12-8-18(16-30)9-13-21)17-19-6-10-20(11-7-19)24-25(32-15-14-31-24)33-37(35,36)23-5-3-2-4-22(23)26(27,28)29/h2-15,37H,17H2,1H3,(H2,32,33,35,36)
    MOLECULAR FORMULA
    C26H22F3N5O2S
    CROSS REFERENCES
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    canSAR1962250

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 525.14
    AlogP 5.55
    HBond donors 2
    HBond acceptors 7
    Atoms 59
    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 canSAR1962250.