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canSAR1865121
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NAMES
    SMILES
    COc1ccc(C[Se]c2nnn(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)cc1
    InChI
    InChI=1S/C16H14N6O5Se/c1-27-14-6-2-11(3-7-14)10-28-16-17-19-20(18-16)9-12-4-5-13(21(23)24)8-15(12)22(25)26/h2-8H,9-10H2,1H3
    MOLECULAR FORMULA
    C16H14N6O5Se
    CROSS REFERENCES
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    canSAR1865121

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 450.02
    AlogP 1.08
    HBond donors 0
    HBond acceptors 11
    Atoms 42
    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 canSAR1865121.