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canSAR2000820
FEATURES
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NAMES
    SMILES
    CCOc1ccc(C(=O)C[n+]2ccc(C(=O)NCCO)cc2)cc1
    InChI
    InChI=1S/C18H20N2O4/c1-2-24-16-5-3-14(4-6-16)17(22)13-20-10-7-15(8-11-20)18(23)19-9-12-21/h3-8,10-11,21H,2,9,12-13H2,1H3/p+1
    MOLECULAR FORMULA
    C18H21N2O4+
    CROSS REFERENCES
    2000820 logo

    canSAR2000820

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 329.15
    AlogP 0.98
    HBond donors 2
    HBond acceptors 6
    Atoms 45
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2000820.