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canSAR1590669
FEATURES
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NAMES
    SMILES
    O=[N+]([O-])c1ccccc1/C=C/C=N/Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1
    InChI
    InChI=1S/C22H28N8O2/c31-30(32)19-12-4-3-10-18(19)11-9-13-23-27-20-24-21(28-14-5-1-6-15-28)26-22(25-20)29-16-7-2-8-17-29/h3-4,9-13H,1-2,5-8,14-17H2,(H,24,25,26,27)/b11-9+,23-13+
    MOLECULAR FORMULA
    C22H28N8O2
    CROSS REFERENCES
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    canSAR1590669

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 436.23
    AlogP 3.87
    HBond donors 1
    HBond acceptors 10
    Atoms 60
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1590669.