canSAR858191
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCCCCCCCNOC(=O)CC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1.[I-]
    InChI
    InChI=1S/C35H60N3O6.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-36-44-34(40)26-31-25-33(42-28-31)29-43-35(41)38(30(3)39)27-32-22-19-21-24-37(32)5-2;/h19,21-22,24,31,33,36H,4-18,20,23,25-29H2,1-3H3;1H/q+1;/p-1
    MOLECULAR FORMULA
    C35H60IN3O6
    CROSS REFERENCES
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    canSAR858191
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight745.35
    AlogP4.20
    HBond donors1
    HBond acceptors9
    Atoms105
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR858191.