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canSAR500528
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NAMES
    SMILES
    COC(CCOCCCCCCCCCCCCc1cccc([125I])c1)COP(=O)([O-])OCC[N+](C)(C)C
    InChI
    InChI=1S/C28H51INO6P/c1-30(2,3)20-23-35-37(31,32)36-25-28(33-4)19-22-34-21-14-12-10-8-6-5-7-9-11-13-16-26-17-15-18-27(29)24-26/h15,17-18,24,28H,5-14,16,19-23,25H2,1-4H3/i29-2
    MOLECULAR FORMULA
    C28H51INO6P
    CROSS REFERENCES
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    canSAR500528

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 653.25
    AlogP 6.36
    HBond donors 0
    HBond acceptors 7
    Atoms 88
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR500528.