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canSAR725052
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NAMES
    SMILES
    COc1ccc(Nc2ncnc3ccc(NC(=S)Nc4cccc(Cl)c4)cc23)cc1
    InChI
    InChI=1S/C22H18ClN5OS/c1-29-18-8-5-15(6-9-18)26-21-19-12-17(7-10-20(19)24-13-25-21)28-22(30)27-16-4-2-3-14(23)11-16/h2-13H,1H3,(H,24,25,26)(H2,27,28,30)
    MOLECULAR FORMULA
    C22H18ClN5OS
    CROSS REFERENCES
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    canSAR725052

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 435.09
    AlogP 5.84
    HBond donors 3
    HBond acceptors 6
    Atoms 48
    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 canSAR725052.