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canSAR113008
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NAMES
    SMILES
    CCc1ncnc(NC(CC)c2ccc(Oc3ccc(F)cc3)cc2)c1Br
    InChI
    InChI=1S/C21H21BrFN3O/c1-3-18(26-21-20(22)19(4-2)24-13-25-21)14-5-9-16(10-6-14)27-17-11-7-15(23)8-12-17/h5-13,18H,3-4H2,1-2H3,(H,24,25,26)
    MOLECULAR FORMULA
    C21H21BrFN3O
    CROSS REFERENCES
    113008 logo

    canSAR113008

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 429.09
    AlogP 6.30
    HBond donors 1
    HBond acceptors 4
    Atoms 48
    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 canSAR113008.