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canSAR1829827
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NAMES
    SMILES
    O=C(N/C(=C/c1ccc(Br)cc1)c1nc2ccccc2[nH]1)c1ccco1
    InChI
    InChI=1S/C20H14BrN3O2/c21-14-9-7-13(8-10-14)12-17(24-20(25)18-6-3-11-26-18)19-22-15-4-1-2-5-16(15)23-19/h1-12H,(H,22,23)(H,24,25)/b17-12+
    MOLECULAR FORMULA
    C20H14BrN3O2
    CROSS REFERENCES
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    canSAR1829827

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 407.03
    AlogP 4.85
    HBond donors 2
    HBond acceptors 5
    Atoms 40
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1829827.