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canSAR1500158
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NAMES
    SMILES
    NC(=S)N/N=C(\c1ccc(Br)cc1)c1cccc(/C(=N/NC(N)=S)c2ccc(Br)cc2)c1
    InChI
    InChI=1S/C22H18Br2N6S2/c23-17-8-4-13(5-9-17)19(27-29-21(25)31)15-2-1-3-16(12-15)20(28-30-22(26)32)14-6-10-18(24)11-7-14/h1-12H,(H3,25,29,31)(H3,26,30,32)/b27-19+,28-20+
    MOLECULAR FORMULA
    C22H18Br2N6S2
    CROSS REFERENCES
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    canSAR1500158

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 587.94
    AlogP 4.38
    HBond donors 6
    HBond acceptors 6
    Atoms 50
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1500158.