canSAR859448
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCCCCCCCCOCC1COC(COC(=O)NCc2cc[n+](CC)cc2)C1.[I-]
    InChI
    InChI=1S/C33H58N2O4.HI/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-37-27-31-25-32(38-28-31)29-39-33(36)34-26-30-20-22-35(4-2)23-21-30;/h20-23,31-32H,3-19,24-29H2,1-2H3;1H
    MOLECULAR FORMULA
    C33H59IN2O4
    CROSS REFERENCES
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    canSAR859448
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight674.35
    AlogP4.91
    HBond donors1
    HBond acceptors6
    Atoms99
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR859448.