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canSAR1865193
FEATURES
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NAMES
    SMILES
    COc1ccc(NC(=O)c2cn(CCC#N)nc2-c2cccc([N+](=O)[O-])c2)cc1
    InChI
    InChI=1S/C20H17N5O4/c1-29-17-8-6-15(7-9-17)22-20(26)18-13-24(11-3-10-21)23-19(18)14-4-2-5-16(12-14)25(27)28/h2,4-9,12-13H,3,11H2,1H3,(H,22,26)
    MOLECULAR FORMULA
    C20H17N5O4
    CROSS REFERENCES
    1865193 logo

    canSAR1865193

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 391.13
    AlogP 3.63
    HBond donors 1
    HBond acceptors 9
    Atoms 46
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1865193.