canSAR1931879
FEATURES
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NAMES
    SMILES
    COc1ccc(/C=N/NC(=O)CSc2nnc(C)n2-c2ccccc2)c(OC)c1OC
    InChI
    InChI=1S/C21H23N5O4S/c1-14-23-25-21(26(14)16-8-6-5-7-9-16)31-13-18(27)24-22-12-15-10-11-17(28-2)20(30-4)19(15)29-3/h5-12H,13H2,1-4H3,(H,24,27)/b22-12+
    MOLECULAR FORMULA
    C21H23N5O4S
    CROSS REFERENCES
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    canSAR1931879
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight441.15
    AlogP2.84
    HBond donors1
    HBond acceptors9
    Atoms54
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1931879.