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canSAR1650988
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NAMES
    SMILES
    Cc1ccc(Nc2nc(CN3CCOCC3)nc(N=NCc3cc(Br)cc(Br)c3O)n2)cc1
    InChI
    InChI=1S/C22H23Br2N7O2/c1-14-2-4-17(5-3-14)26-21-27-19(13-31-6-8-33-9-7-31)28-22(29-21)30-25-12-15-10-16(23)11-18(24)20(15)32/h2-5,10-11,32H,6-9,12-13H2,1H3,(H,26,27,28,29)
    MOLECULAR FORMULA
    C22H23Br2N7O2
    CROSS REFERENCES
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    canSAR1650988

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 575.03
    AlogP 5.27
    HBond donors 2
    HBond acceptors 9
    Atoms 56
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1650988.