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canSAR987303
FEATURES
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NAMES
    SMILES
    O=C(N/C(C(=O)N1CCCCC1)=C(\Cl)c1ccccc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
    InChI
    InChI=1S/C21H19ClN4O6/c22-18(14-7-3-1-4-8-14)19(21(28)24-11-5-2-6-12-24)23-20(27)16-10-9-15(25(29)30)13-17(16)26(31)32/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,23,27)/b19-18-
    MOLECULAR FORMULA
    C21H19ClN4O6
    CROSS REFERENCES
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    canSAR987303

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 458.10
    AlogP 3.85
    HBond donors 1
    HBond acceptors 10
    Atoms 51
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR987303.