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canSAR1861675
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NAMES
    SMILES
    Brc1ccc2[nH]c3nc(SCCN4CCOCC4)nnc3c2c1
    InChI
    InChI=1S/C15H16BrN5OS/c16-10-1-2-12-11(9-10)13-14(17-12)18-15(20-19-13)23-8-5-21-3-6-22-7-4-21/h1-2,9H,3-8H2,(H,17,18,20)
    MOLECULAR FORMULA
    C15H16BrN5OS
    CROSS REFERENCES
    1861675 logo

    canSAR1861675

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 393.03
    AlogP 2.69
    HBond donors 1
    HBond acceptors 6
    Atoms 39
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1861675.