canSAR1774046
FEATURES
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NAMES
    SMILES
    O=C(O[C@H]1[C@H](Cc2ccccc2)NS(=O)(=O)[C@H]2C[C@@H]3C=C[C@]12O3)c1ccccc1Br
    InChI
    InChI=1S/C22H20BrNO5S/c23-17-9-5-4-8-16(17)21(25)28-20-18(12-14-6-2-1-3-7-14)24-30(26,27)19-13-15-10-11-22(19,20)29-15/h1-11,15,18-20,24H,12-13H2/t15-,18-,19-,20-,22+/m0/s1
    MOLECULAR FORMULA
    C22H20BrNO5S
    CROSS REFERENCES
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    canSAR1774046
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight489.02
    AlogP2.98
    HBond donors1
    HBond acceptors6
    Atoms50
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1774046.