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canSAR1128696
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NAMES
    SMILES
    O[C@H]1CC[C@H](Nc2nccc(-n3nnc4ccccc43)n2)CC1
    InChI
    InChI=1S/C16H18N6O/c23-12-7-5-11(6-8-12)18-16-17-10-9-15(19-16)22-14-4-2-1-3-13(14)20-21-22/h1-4,9-12,23H,5-8H2,(H,17,18,19)/t11-,12-
    MOLECULAR FORMULA
    C16H18N6O
    CROSS REFERENCES
    1128696 logo

    canSAR1128696

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 310.15
    AlogP 1.93
    HBond donors 2
    HBond acceptors 7
    Atoms 41
    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 canSAR1128696.