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canSAR1967696
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NAMES
    SMILES
    Cc1ccc(Nc2nnc(SCC(=O)Nc3ncc(C(F)(F)F)cc3Cl)s2)cc1
    InChI
    InChI=1S/C17H13ClF3N5OS2/c1-9-2-4-11(5-3-9)23-15-25-26-16(29-15)28-8-13(27)24-14-12(18)6-10(7-22-14)17(19,20)21/h2-7H,8H2,1H3,(H,23,25)(H,22,24,27)
    MOLECULAR FORMULA
    C17H13ClF3N5OS2
    CROSS REFERENCES
    1967696 logo

    canSAR1967696

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 459.02
    AlogP 5.39
    HBond donors 2
    HBond acceptors 6
    Atoms 42
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1967696.