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canSAR2083904
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NAMES
    SMILES
    C[C@@H](Nc1ncnc2c1nn1ccccc21)C1CCCCC1
    InChI
    InChI=1S/C17H21N5/c1-12(13-7-3-2-4-8-13)20-17-16-15(18-11-19-17)14-9-5-6-10-22(14)21-16/h5-6,9-13H,2-4,7-8H2,1H3,(H,18,19,20)/t12-/m1/s1
    MOLECULAR FORMULA
    C17H21N5
    CROSS REFERENCES
    2083904 logo

    canSAR2083904

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 295.18
    AlogP 3.66
    HBond donors 1
    HBond acceptors 5
    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 canSAR2083904.