canSAR1087179
FEATURES
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NAMES
    SMILES
    Cc1cccc(C)c1OCCSc1nc2ccccc2[nH]1
    InChI
    InChI=1S/C17H18N2OS/c1-12-6-5-7-13(2)16(12)20-10-11-21-17-18-14-8-3-4-9-15(14)19-17/h3-9H,10-11H2,1-2H3,(H,18,19)
    MOLECULAR FORMULA
    C17H18N2OS
    CROSS REFERENCES
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    canSAR1087179
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight298.11
    AlogP4.35
    HBond donors1
    HBond acceptors3
    Atoms39
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1087179.