canSAR632979
FEATURES
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NAMES
    SMILES
    COc1cc(C(=O)CC(CCC(=O)Nc2ccccc2[N+](=O)[O-])=NNC(=O)CC#N)ccc1O
    InChI
    InChI=1S/C22H21N5O7/c1-34-20-12-14(6-8-18(20)28)19(29)13-15(25-26-22(31)10-11-23)7-9-21(30)24-16-4-2-3-5-17(16)27(32)33/h2-6,8,12,28H,7,9-10,13H2,1H3,(H,24,30)(H,26,31)
    MOLECULAR FORMULA
    C22H21N5O7
    CROSS REFERENCES
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    canSAR632979
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight467.14
    AlogP2.69
    HBond donors3
    HBond acceptors12
    Atoms55
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR632979.