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canSAR1267004
FEATURES
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NAMES
    SMILES
    COc1cc(/C=N/N(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc(Br)c1O
    InChI
    InChI=1S/C23H20BrN3O4/c1-27(25-14-15-12-19(24)21(28)20(13-15)31-2)23(30)17-8-10-18(11-9-17)26-22(29)16-6-4-3-5-7-16/h3-14,28H,1-2H3,(H,26,29)/b25-14+
    MOLECULAR FORMULA
    C23H20BrN3O4
    CROSS REFERENCES
    1267004 logo

    canSAR1267004

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 481.06
    AlogP 4.52
    HBond donors 2
    HBond acceptors 7
    Atoms 51
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1267004.