canSAR1809612
FEATURES
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NAMES
    SMILES
    CC1=NNC(=O)C1CCC(=O)NN=C/C(Br)=C/c1ccccc1
    InChI
    InChI=1S/C16H17BrN4O2/c1-11-14(16(23)21-19-11)7-8-15(22)20-18-10-13(17)9-12-5-3-2-4-6-12/h2-6,9-10,14H,7-8H2,1H3,(H,20,22)(H,21,23)/b13-9-,18-10?
    MOLECULAR FORMULA
    C16H17BrN4O2
    CROSS REFERENCES
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    canSAR1809612
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight376.05
    AlogP2.43
    HBond donors2
    HBond acceptors6
    Atoms40
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1809612.