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canSAR649853
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NAMES
    SMILES
    Nc1nc(NCCN2CCCC2)nc2c1[N+]([O-])=C(c1ccccc1)C2=O
    InChI
    InChI=1S/C18H20N6O2/c19-17-15-13(16(25)14(24(15)26)12-6-2-1-3-7-12)21-18(22-17)20-8-11-23-9-4-5-10-23/h1-3,6-7H,4-5,8-11H2,(H3,19,20,21,22)
    MOLECULAR FORMULA
    C18H20N6O2
    CROSS REFERENCES
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    canSAR649853

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 352.16
    AlogP 1.39
    HBond donors 3
    HBond acceptors 8
    Atoms 46
    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 canSAR649853.