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canSAR1145964
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NAMES
    SMILES
    NC(=O)N1CCN(C(=S)SCc2cn(Cc3ccc(F)cc3)nn2)CC1
    InChI
    InChI=1S/C16H19FN6OS2/c17-13-3-1-12(2-4-13)9-23-10-14(19-20-23)11-26-16(25)22-7-5-21(6-8-22)15(18)24/h1-4,10H,5-9,11H2,(H2,18,24)
    MOLECULAR FORMULA
    C16H19FN6OS2
    CROSS REFERENCES
    1145964 logo

    canSAR1145964

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 394.10
    AlogP 1.68
    HBond donors 2
    HBond acceptors 7
    Atoms 45
    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 canSAR1145964.