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canSAR1513207
FEATURES
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NAMES
    SMILES
    Cc1ccc(-n2[n-]c(C)c(C[NH+]=Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2=O)cc1
    InChI
    InChI=1S/C18H16N6O5/c1-11-3-5-13(6-4-11)22-18(25)15(12(2)21-22)10-19-20-16-8-7-14(23(26)27)9-17(16)24(28)29/h3-9H,10H2,1-2H3,(H,21,25)
    MOLECULAR FORMULA
    C18H16N6O5
    CROSS REFERENCES
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    canSAR1513207

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 396.12
    AlogP 1.59
    HBond donors 1
    HBond acceptors 11
    Atoms 45
    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 canSAR1513207.