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canSAR1589429
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NAMES
    SMILES
    O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/N1CCN(C(=O)c2ccco2)CC1
    InChI
    InChI=1S/C20H17BrN4O4S/c21-13-3-5-14(6-4-13)25-18(27)15(17(26)22-20(25)30)12-23-7-9-24(10-8-23)19(28)16-2-1-11-29-16/h1-6,11-12H,7-10H2,(H,22,26,30)/b15-12+
    MOLECULAR FORMULA
    C20H17BrN4O4S
    CROSS REFERENCES
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    canSAR1589429

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 488.02
    AlogP 2.13
    HBond donors 1
    HBond acceptors 8
    Atoms 47
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1589429.