canSAR1746838
FEATURES
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NAMES
    SMILES
    COc1cc(C(=O)OCC#N)ccc1OCc1c(C)noc1C
    InChI
    InChI=1S/C16H16N2O5/c1-10-13(11(2)23-18-10)9-22-14-5-4-12(8-15(14)20-3)16(19)21-7-6-17/h4-5,8H,7,9H2,1-3H3
    MOLECULAR FORMULA
    C16H16N2O5
    CROSS REFERENCES
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    canSAR1746838
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight316.11
    AlogP2.56
    HBond donors0
    HBond acceptors7
    Atoms39
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1746838.