canSAR539409
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCCCCCNC(=O)OCCOCCOC(=O)N(Cc1cccc[n+]1CC)C(C)=O
    InChI
    InChI=1S/C31H53N3O6/c1-4-6-7-8-9-10-11-12-13-14-15-16-18-21-32-30(36)39-25-23-38-24-26-40-31(37)34(28(3)35)27-29-20-17-19-22-33(29)5-2/h17,19-20,22H,4-16,18,21,23-27H2,1-3H3/p+1
    MOLECULAR FORMULA
    C31H54N3O6+
    CROSS REFERENCES
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    canSAR539409
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight564.40
    AlogP6.31
    HBond donors1
    HBond acceptors9
    Atoms94
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR539409.