canSAR2079917
FEATURES
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NAMES
    SMILES
    COc1cc(/C=N/Nc2nc(-c3ccccc3)cs2)cc(OC)c1O
    InChI
    InChI=1S/C18H17N3O3S/c1-23-15-8-12(9-16(24-2)17(15)22)10-19-21-18-20-14(11-25-18)13-6-4-3-5-7-13/h3-11,22H,1-2H3,(H,20,21)/b19-10+
    MOLECULAR FORMULA
    C18H17N3O3S
    CROSS REFERENCES
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    canSAR2079917
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight355.10
    AlogP3.98
    HBond donors2
    HBond acceptors6
    Atoms42
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2079917.