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canSAR2021439
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NAMES
    SMILES
    O=C(CC=NOCc1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1
    InChI
    InChI=1S/C16H14BrN3O4/c17-13-3-5-14(6-4-13)19-16(21)9-10-18-24-11-12-1-7-15(8-2-12)20(22)23/h1-8,10H,9,11H2,(H,19,21)
    MOLECULAR FORMULA
    C16H14BrN3O4
    CROSS REFERENCES
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    canSAR2021439

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 391.02
    AlogP 3.89
    HBond donors 1
    HBond acceptors 7
    Atoms 38
    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 canSAR2021439.