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canSAR1145049
FEATURES
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NAMES
    SMILES
    COc1cccc(/C=C/C(=O)NC2=NCCS2)c1
    InChI
    InChI=1S/C13H14N2O2S/c1-17-11-4-2-3-10(9-11)5-6-12(16)15-13-14-7-8-18-13/h2-6,9H,7-8H2,1H3,(H,14,15,16)/b6-5+
    MOLECULAR FORMULA
    C13H14N2O2S
    CROSS REFERENCES
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    canSAR1145049

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 262.08
    AlogP 1.93
    HBond donors 1
    HBond acceptors 4
    Atoms 32
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1145049.