canSAR1087222
FEATURES
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NAMES
    SMILES
    COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)co2)cc1
    InChI
    InChI=1S/C16H13BrN2O3/c1-21-14-4-2-11(3-5-14)9-19-16(20)12(8-18)6-15-7-13(17)10-22-15/h2-7,10H,9H2,1H3,(H,19,20)/b12-6+
    MOLECULAR FORMULA
    C16H13BrN2O3
    CROSS REFERENCES
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    canSAR1087222
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight360.01
    AlogP3.27
    HBond donors1
    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 canSAR1087222.