canSAR2079792
FEATURES
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NAMES
    SMILES
    CC1=C(C(=O)Nc2ccccn2)C(c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n2ncnc2N1
    InChI
    InChI=1S/C27H21N9O3/c1-17-23(26(37)32-22-9-5-6-14-28-22)25(35-27(31-17)29-16-30-35)21-15-34(19-7-3-2-4-8-19)33-24(21)18-10-12-20(13-11-18)36(38)39/h2-16,25H,1H3,(H,28,32,37)(H,29,30,31)
    MOLECULAR FORMULA
    C27H21N9O3
    CROSS REFERENCES
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    canSAR2079792
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight519.18
    AlogP4.36
    HBond donors2
    HBond acceptors12
    Atoms60
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2079792.