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canSAR1123758
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NAMES
    SMILES
    CNC(=O)CN(C)CCOc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC
    InChI
    InChI=1S/C21H23ClFN5O3/c1-24-19(29)11-28(2)7-8-31-18-9-13-16(10-17(18)30-3)25-12-26-21(13)27-15-6-4-5-14(22)20(15)23/h4-6,9-10,12H,7-8,11H2,1-3H3,(H,24,29)(H,25,26,27)
    MOLECULAR FORMULA
    C21H23ClFN5O3
    CROSS REFERENCES
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    canSAR1123758

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 447.15
    AlogP 3.23
    HBond donors 2
    HBond acceptors 8
    Atoms 54
    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 canSAR1123758.