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canSAR1493774
FEATURES
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NAMES
    SMILES
    CCOc1cc(C(=O)NN=C/C(Br)=C/c2ccccc2)cc(OCC)c1OCC
    InChI
    InChI=1S/C22H25BrN2O4/c1-4-27-19-13-17(14-20(28-5-2)21(19)29-6-3)22(26)25-24-15-18(23)12-16-10-8-7-9-11-16/h7-15H,4-6H2,1-3H3,(H,25,26)/b18-12-,24-15?
    MOLECULAR FORMULA
    C22H25BrN2O4
    CROSS REFERENCES
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    canSAR1493774

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 460.10
    AlogP 5.03
    HBond donors 1
    HBond acceptors 6
    Atoms 54
    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 canSAR1493774.