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canSAR2018295
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NAMES
    SMILES
    CCCNC(=O)c1onc(CSc2ccc(Cl)cc2)c1C(=O)NCCC(C)C
    InChI
    InChI=1S/C20H26ClN3O3S/c1-4-10-22-20(26)18-17(19(25)23-11-9-13(2)3)16(24-27-18)12-28-15-7-5-14(21)6-8-15/h5-8,13H,4,9-12H2,1-3H3,(H,22,26)(H,23,25)
    MOLECULAR FORMULA
    C20H26ClN3O3S
    CROSS REFERENCES
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    canSAR2018295

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 423.14
    AlogP 4.54
    HBond donors 2
    HBond acceptors 6
    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 canSAR2018295.