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canSAR1529925
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NAMES
    SMILES
    C=CC[n+]1c(/C=C/c2ccc(OC(C)=O)c(OC)c2)ccc2ccccc21
    InChI
    InChI=1S/C23H22NO3/c1-4-15-24-20(13-11-19-7-5-6-8-21(19)24)12-9-18-10-14-22(27-17(2)25)23(16-18)26-3/h4-14,16H,1,15H2,2-3H3/q+1/b12-9+
    MOLECULAR FORMULA
    C23H22NO3+
    CROSS REFERENCES
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    canSAR1529925

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 360.16
    AlogP 4.42
    HBond donors 0
    HBond acceptors 4
    Atoms 49
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1529925.