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canSAR652187
FEATURES
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NAMES
    SMILES
    CN(C)c1nc(N)nc2c1ncn2[C@H]1C[C@H](N=[N+]=[N-])[C@@H](CO)O1
    InChI
    InChI=1S/C12H17N9O2/c1-20(2)10-9-11(17-12(13)16-10)21(5-15-9)8-3-6(18-19-14)7(4-22)23-8/h5-8,22H,3-4H2,1-2H3,(H2,13,16,17)/t6-,7+,8+/m0/s1
    MOLECULAR FORMULA
    C12H17N9O2
    CROSS REFERENCES
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    canSAR652187

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 319.15
    AlogP 0.43
    HBond donors 3
    HBond acceptors 11
    Atoms 40
    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 canSAR652187.