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canSAR783639
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NAMES
    SMILES
    Nc1ncnc2c1ncn2[C@@H]1O[C@H](/C(Br)=C\CCC(=O)O)[C@@H](O)[C@H]1O
    InChI
    InChI=1S/C14H16BrN5O5/c15-6(2-1-3-7(21)22)11-9(23)10(24)14(25-11)20-5-19-8-12(16)17-4-18-13(8)20/h2,4-5,9-11,14,23-24H,1,3H2,(H,21,22)(H2,16,17,18)/b6-2+/t9-,10+,11+,14+/m0/s1
    MOLECULAR FORMULA
    C14H16BrN5O5
    CROSS REFERENCES
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    canSAR783639

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 413.03
    AlogP 0.17
    HBond donors 5
    HBond acceptors 10
    Atoms 41
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR783639.