canSAR541306
FEATURES
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NAMES
    SMILES
    C=CC[n+]1ccccc1/C=c1\s/c(=C2/Sc3ccccc3N2C)c(=O)n1C
    InChI
    InChI=1S/C21H20N3OS2/c1-4-12-24-13-8-7-9-15(24)14-18-23(3)20(25)19(27-18)21-22(2)16-10-5-6-11-17(16)26-21/h4-11,13-14H,1,12H2,2-3H3/q+1/b21-19+
    MOLECULAR FORMULA
    C21H20N3OS2+
    CROSS REFERENCES
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    canSAR541306
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight394.10
    AlogP2.06
    HBond donors0
    HBond acceptors4
    Atoms47
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR541306.