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canSAR651259
FEATURES
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NAMES
    SMILES
    C=CCN(C)c1nc(N)nc2c1ncn2[C@H]1C[C@H](N=[N+]=[N-])[C@@H](CO)O1
    InChI
    InChI=1S/C14H19N9O2/c1-3-4-22(2)12-11-13(19-14(15)18-12)23(7-17-11)10-5-8(20-21-16)9(6-24)25-10/h3,7-10,24H,1,4-6H2,2H3,(H2,15,18,19)/t8-,9+,10+/m0/s1
    MOLECULAR FORMULA
    C14H19N9O2
    CROSS REFERENCES
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    canSAR651259

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 345.17
    AlogP 0.99
    HBond donors 3
    HBond acceptors 11
    Atoms 44
    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 canSAR651259.