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canSAR1265241
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NAMES
    SMILES
    CNCC(Cl)=C1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC)CC1
    InChI
    InChI=1S/C22H25ClFN3O4/c1-25-10-16(23)12-5-7-26(8-6-12)19-17(24)9-14-18(21(19)31-2)27(13-3-4-13)11-15(20(14)28)22(29)30/h9,11,13,25H,3-8,10H2,1-2H3,(H,29,30)
    MOLECULAR FORMULA
    C22H25ClFN3O4
    CROSS REFERENCES
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    canSAR1265241

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 449.15
    AlogP 3.49
    HBond donors 2
    HBond acceptors 7
    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 canSAR1265241.