canSAR859226
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCCCCCNOC(=O)CC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1.[I-]
    InChI
    InChI=1S/C33H56N3O6.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-18-21-34-42-32(38)24-31-23-29(26-40-31)27-41-33(39)36(28(3)37)25-30-20-17-19-22-35(30)5-2;/h17,19-20,22,29,31,34H,4-16,18,21,23-27H2,1-3H3;1H/q+1;/p-1
    MOLECULAR FORMULA
    C33H56IN3O6
    CROSS REFERENCES
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    canSAR859226
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight717.32
    AlogP3.42
    HBond donors1
    HBond acceptors9
    Atoms99
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR859226.