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canSAR1125533
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NAMES
    SMILES
    Cc1ccc(N(C)CCn2nnc3c(C(N)=O)ncn3c2=O)cc1[N+](=O)[O-]
    InChI
    InChI=1S/C15H16N8O4/c1-9-3-4-10(7-11(9)23(26)27)20(2)5-6-22-15(25)21-8-17-12(13(16)24)14(21)18-19-22/h3-4,7-8H,5-6H2,1-2H3,(H2,16,24)
    MOLECULAR FORMULA
    C15H16N8O4
    CROSS REFERENCES
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    canSAR1125533

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 372.13
    AlogP -0.26
    HBond donors 2
    HBond acceptors 12
    Atoms 43
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1125533.