canSAR1846412
FEATURES
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NAMES
    SMILES
    COc1ccc2c(c1)O[C@@H](c1cccc(C(F)(F)F)c1)[C@H](OC(=O)Nc1ccc(C)c(Br)c1)C2=O
    InChI
    InChI=1S/C25H19BrF3NO5/c1-13-6-7-16(11-19(13)26)30-24(32)35-23-21(31)18-9-8-17(33-2)12-20(18)34-22(23)14-4-3-5-15(10-14)25(27,28)29/h3-12,22-23H,1-2H3,(H,30,32)/t22-,23+/m0/s1
    MOLECULAR FORMULA
    C25H19BrF3NO5
    CROSS REFERENCES
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    canSAR1846412
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight549.04
    AlogP6.72
    HBond donors1
    HBond acceptors6
    Atoms54
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1846412.