canSAR1631850
FEATURES
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NAMES
    SMILES
    Cc1cccc(OCc2nnc(S)n2Cc2ccccc2)c1
    InChI
    InChI=1S/C17H17N3OS/c1-13-6-5-9-15(10-13)21-12-16-18-19-17(22)20(16)11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,19,22)
    MOLECULAR FORMULA
    C17H17N3OS
    CROSS REFERENCES
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    canSAR1631850
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight311.11
    AlogP3.50
    HBond donors0
    HBond acceptors4
    Atoms39
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1631850.