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canSAR564819
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NAMES
    SMILES
    CCCCCCCCCCCCCCCCOCC1COC(COC(=O)N(C(C)=O)c2ccc[n+](CC)c2)C1
    InChI
    InChI=1S/C32H55N2O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-22-37-25-29-23-31(38-26-29)27-39-32(36)34(28(3)35)30-20-19-21-33(5-2)24-30/h19-21,24,29,31H,4-18,22-23,25-27H2,1-3H3/q+1
    MOLECULAR FORMULA
    C32H55N2O5+
    CROSS REFERENCES
    564819 logo

    canSAR564819

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 547.41
    AlogP 7.39
    HBond donors 0
    HBond acceptors 7
    Atoms 94
    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 canSAR564819.