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canSAR2051858
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NAMES
    SMILES
    CNC(=O)CN(CC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)C1CCC1
    InChI
    InChI=1S/C25H31N5OS/c1-26-22(31)15-30(20-8-5-9-20)14-18-10-12-29(13-11-18)24-23-21(19-6-3-2-4-7-19)16-32-25(23)28-17-27-24/h2-4,6-7,16-18,20H,5,8-15H2,1H3,(H,26,31)
    MOLECULAR FORMULA
    C25H31N5OS
    CROSS REFERENCES
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    canSAR2051858

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 449.22
    AlogP 4.18
    HBond donors 1
    HBond acceptors 6
    Atoms 63
    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 canSAR2051858.