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canSAR1012940
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NAMES
    SMILES
    O=C(O)/C=C1\CN(Cc2ccc(Br)cc2F)S(=O)(=O)c2ccccc21
    InChI
    InChI=1S/C17H13BrFNO4S/c18-13-6-5-11(15(19)8-13)9-20-10-12(7-17(21)22)14-3-1-2-4-16(14)25(20,23)24/h1-8H,9-10H2,(H,21,22)/b12-7+
    MOLECULAR FORMULA
    C17H13BrFNO4S
    CROSS REFERENCES
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    canSAR1012940

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 424.97
    AlogP 3.26
    HBond donors 1
    HBond acceptors 5
    Atoms 38
    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 canSAR1012940.