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canSAR1132582
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NAMES
    SMILES
    Nc1ccc(N2CCC(C(=O)Nc3cccc(OCc4ccc(F)cc4)c3)CC2)cc1
    InChI
    InChI=1S/C25H26FN3O2/c26-20-6-4-18(5-7-20)17-31-24-3-1-2-22(16-24)28-25(30)19-12-14-29(15-13-19)23-10-8-21(27)9-11-23/h1-11,16,19H,12-15,17,27H2,(H,28,30)
    MOLECULAR FORMULA
    C25H26FN3O2
    CROSS REFERENCES
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    canSAR1132582

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 419.20
    AlogP 4.84
    HBond donors 3
    HBond acceptors 5
    Atoms 57
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1132582.