canSAR859657
FEATURES
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NAMES
    SMILES
    C[n+]1cccc(C(=O)OCCCCCCCn2ccc3ccccc32)c1.[I-]
    InChI
    InChI=1S/C22H27N2O2.HI/c1-23-14-9-11-20(18-23)22(25)26-17-8-4-2-3-7-15-24-16-13-19-10-5-6-12-21(19)24;/h5-6,9-14,16,18H,2-4,7-8,15,17H2,1H3;1H/q+1;/p-1
    MOLECULAR FORMULA
    C22H27IN2O2
    CROSS REFERENCES
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    canSAR859657
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight478.11
    AlogP1.28
    HBond donors0
    HBond acceptors4
    Atoms54
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR859657.