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canSAR1266241
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NAMES
    SMILES
    O=c1ccc2ncc(F)cc2n1CCN1CCC(NC(=S)Nc2ccc([N+](=O)[O-])cc2)CC1
    InChI
    InChI=1S/C22H23FN6O3S/c23-15-13-20-19(24-14-15)5-6-21(30)28(20)12-11-27-9-7-17(8-10-27)26-22(33)25-16-1-3-18(4-2-16)29(31)32/h1-6,13-14,17H,7-12H2,(H2,25,26,33)
    MOLECULAR FORMULA
    C22H23FN6O3S
    CROSS REFERENCES
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    canSAR1266241

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 470.15
    AlogP 2.89
    HBond donors 2
    HBond acceptors 9
    Atoms 56
    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 canSAR1266241.