canSAR2079929
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)CNc1ncnc2[nH]cnc12)C(=O)O.O
    InChI
    InChI=1S/C13H18N6O3.H2O/c1-7(2)3-8(13(21)22)19-9(20)4-14-11-10-12(16-5-15-10)18-6-17-11;/h5-8H,3-4H2,1-2H3,(H,19,20)(H,21,22)(H2,14,15,16,17,18);1H2/t8-;/m0./s1
    MOLECULAR FORMULA
    C13H20N6O4
    CROSS REFERENCES
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    canSAR2079929
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight324.15
    AlogP-0.44
    HBond donors6
    HBond acceptors10
    Atoms43
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2079929.