canSAR1833034
FEATURES
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NAMES
    SMILES
    Cc1c(Cl)cccc1NC(=O)CSc1ncnc2c1cnn2CCc1ccccc1
    InChI
    InChI=1S/C22H20ClN5OS/c1-15-18(23)8-5-9-19(15)27-20(29)13-30-22-17-12-26-28(21(17)24-14-25-22)11-10-16-6-3-2-4-7-16/h2-9,12,14H,10-11,13H2,1H3,(H,27,29)
    MOLECULAR FORMULA
    C22H20ClN5OS
    CROSS REFERENCES
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    canSAR1833034
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight437.11
    AlogP4.76
    HBond donors1
    HBond acceptors6
    Atoms50
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1833034.