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canSAR560696
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCCCCCCOCC1CCC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1
    InChI
    InChI=1S/C33H57N2O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-25-38-27-31-22-23-32(40-31)28-39-33(37)35(29(3)36)26-30-21-18-19-24-34(30)5-2/h18-19,21,24,31-32H,4-17,20,22-23,25-28H2,1-3H3/q+1
    MOLECULAR FORMULA
    C33H57N2O5+
    CROSS REFERENCES
    560696 logo

    canSAR560696

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 561.43
    AlogP 7.52
    HBond donors 0
    HBond acceptors 7
    Atoms 97
    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 canSAR560696.