canSAR858136
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCCCCO[C@@H]1[C@@H](OCCCCCCCCCCCCCC)[C@@H](OC)O[C@H](C[N+](C)(C)C2CCCC2)[C@H]1O.[I-]
    InChI
    InChI=1S/C42H84NO5.HI/c1-6-8-10-12-14-16-18-20-22-24-26-30-34-46-40-39(44)38(36-43(3,4)37-32-28-29-33-37)48-42(45-5)41(40)47-35-31-27-25-23-21-19-17-15-13-11-9-7-2;/h37-42,44H,6-36H2,1-5H3;1H/q+1;/p-1/t38-,39-,40+,41-,42+;/m1./s1
    MOLECULAR FORMULA
    C42H84INO5
    CROSS REFERENCES
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    canSAR858136
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight809.54
    AlogP7.91
    HBond donors1
    HBond acceptors6
    Atoms133
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR858136.