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canSAR1142686
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NAMES
    SMILES
    COc1ccc(-c2nnc(N/N=C/c3cccs3)nc2-c2ccc(OC)cc2)cc1
    InChI
    InChI=1S/C22H19N5O2S/c1-28-17-9-5-15(6-10-17)20-21(16-7-11-18(29-2)12-8-16)25-27-22(24-20)26-23-14-19-4-3-13-30-19/h3-14H,1-2H3,(H,24,26,27)/b23-14+
    MOLECULAR FORMULA
    C22H19N5O2S
    CROSS REFERENCES
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    canSAR1142686

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 417.13
    AlogP 4.73
    HBond donors 1
    HBond acceptors 7
    Atoms 49
    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 canSAR1142686.