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canSAR1150314
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NAMES
    SMILES
    COc1ccc(/N=N/C(=C2/NCCN2Cc2ccc(Cl)nc2)[N+](=O)[O-])cc1
    InChI
    InChI=1S/C17H17ClN6O3/c1-27-14-5-3-13(4-6-14)21-22-17(24(25)26)16-19-8-9-23(16)11-12-2-7-15(18)20-10-12/h2-7,10,19H,8-9,11H2,1H3/b17-16+,22-21+
    MOLECULAR FORMULA
    C17H17ClN6O3
    CROSS REFERENCES
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    canSAR1150314

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 388.11
    AlogP 3.34
    HBond donors 1
    HBond acceptors 9
    Atoms 44
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1150314.