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canSAR1523030
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NAMES
    SMILES
    O=C(NCc1nnc(S)n1-c1ccc(Br)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
    InChI
    InChI=1S/C20H20BrN5O4S2/c21-15-3-5-16(6-4-15)26-18(23-24-20(26)31)13-22-19(27)14-1-7-17(8-2-14)32(28,29)25-9-11-30-12-10-25/h1-8H,9-13H2,(H,22,27)(H,24,31)
    MOLECULAR FORMULA
    C20H20BrN5O4S2
    CROSS REFERENCES
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    canSAR1523030

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 537.01
    AlogP 2.27
    HBond donors 1
    HBond acceptors 9
    Atoms 52
    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 canSAR1523030.