canSAR1387189
FEATURES
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NAMES
    SMILES
    C1=C(c2cccs2)C2CCC1N2.O=C(O)/C=C/C(=O)O
    InChI
    InChI=1S/C10H11NS.C4H4O4/c1-2-10(12-5-1)8-6-7-3-4-9(8)11-7;5-3(6)1-2-4(7)8/h1-2,5-7,9,11H,3-4H2;1-2H,(H,5,6)(H,7,8)/b;2-1+
    MOLECULAR FORMULA
    C14H15NO4S
    CROSS REFERENCES
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    canSAR1387189
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight293.07
    AlogP1.98
    HBond donors3
    HBond acceptors5
    Atoms35
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1387189.