canSAR1846668
FEATURES
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NAMES
    SMILES
    COc1ccc(/C=C(/C(=O)N2CCOCC2)c2nc3ccccc3[nH]2)c(OC)c1
    InChI
    InChI=1S/C22H23N3O4/c1-27-16-8-7-15(20(14-16)28-2)13-17(22(26)25-9-11-29-12-10-25)21-23-18-5-3-4-6-19(18)24-21/h3-8,13-14H,9-12H2,1-2H3,(H,23,24)/b17-13+
    MOLECULAR FORMULA
    C22H23N3O4
    CROSS REFERENCES
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    canSAR1846668
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight393.17
    AlogP2.98
    HBond donors1
    HBond acceptors7
    Atoms52
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1846668.