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canSAR1686562
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NAMES
    SMILES
    COc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3nccs3)n2-c2ccccc2)c1
    InChI
    InChI=1S/C22H20N6O3S2/c1-31-17-9-5-6-15(12-17)20(30)24-13-18-26-27-22(28(18)16-7-3-2-4-8-16)33-14-19(29)25-21-23-10-11-32-21/h2-12H,13-14H2,1H3,(H,24,30)(H,23,25,29)
    MOLECULAR FORMULA
    C22H20N6O3S2
    CROSS REFERENCES
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    canSAR1686562

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 480.10
    AlogP 3.39
    HBond donors 2
    HBond acceptors 9
    Atoms 53
    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 canSAR1686562.