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canSAR354654
FEATURES
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NAMES
    SMILES
    N=C(NCCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NO)N[N+](=O)[O-]
    InChI
    InChI=1S/C13H17N7O7/c14-13(17-20(26)27)15-7-1-2-10(12(22)18-23)16-11(21)8-3-5-9(6-4-8)19(24)25/h3-6,10,23H,1-2,7H2,(H,16,21)(H,18,22)(H3,14,15,17)/t10-/m0/s1
    MOLECULAR FORMULA
    C13H17N7O7
    CROSS REFERENCES
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    canSAR354654

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 383.12
    AlogP -0.72
    HBond donors 6
    HBond acceptors 14
    Atoms 44
    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 canSAR354654.