canSAR1416898
FEATURES
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NAMES
    SMILES
    COc1ccc(/C=N/NC(=O)c2ccccc2O)cc1CSc1ccccn1
    InChI
    InChI=1S/C21H19N3O3S/c1-27-19-10-9-15(12-16(19)14-28-20-8-4-5-11-22-20)13-23-24-21(26)17-6-2-3-7-18(17)25/h2-13,25H,14H2,1H3,(H,24,26)/b23-13+
    MOLECULAR FORMULA
    C21H19N3O3S
    CROSS REFERENCES
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    canSAR1416898
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight393.11
    AlogP3.85
    HBond donors2
    HBond acceptors6
    Atoms47
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1416898.