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canSAR1012653
FEATURES
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NAMES
    SMILES
    Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)/N=C/c1cnn2cccc(Br)c12
    InChI
    InChI=1S/C16H14BrN5O4S/c1-11-5-6-13(22(23)24)8-15(11)27(25,26)20(2)18-9-12-10-19-21-7-3-4-14(17)16(12)21/h3-10H,1-2H3/b18-9+
    MOLECULAR FORMULA
    C16H14BrN5O4S
    CROSS REFERENCES
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    canSAR1012653

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 450.99
    AlogP 2.97
    HBond donors 0
    HBond acceptors 9
    Atoms 41
    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 canSAR1012653.