canSAR420881
FEATURES
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NAMES
    SMILES
    C=CC(=O)Nc1ccc2c(Nc3cccc(Br)c3)ncnc2c1
    InChI
    InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-14-15(9-13)19-10-20-17(14)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)
    MOLECULAR FORMULA
    C17H13BrN4O
    CROSS REFERENCES
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    canSAR420881
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight368.03
    AlogP4.26
    HBond donors2
    HBond acceptors5
    Atoms36
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR420881.