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canSAR50395
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NAMES
    SMILES
    [N-]=[N+]=NCCCCCOc1nc(N)c2[nH]c(=O)n(Cc3ccccc3)c2n1
    InChI
    InChI=1S/C17H20N8O2/c18-14-13-15(23-16(22-14)27-10-6-2-5-9-20-24-19)25(17(26)21-13)11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H,21,26)(H2,18,22,23)
    MOLECULAR FORMULA
    C17H20N8O2
    CROSS REFERENCES
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    canSAR50395

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 368.17
    AlogP 2.61
    HBond donors 3
    HBond acceptors 10
    Atoms 47
    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 canSAR50395.