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canSAR1018187
FEATURES
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NAMES
    SMILES
    CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc([125I])cc32)c1C
    InChI
    InChI=1S/C22H27IN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-/i23-2
    MOLECULAR FORMULA
    C22H27IN4O2
    CROSS REFERENCES
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    canSAR1018187

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 504.12
    AlogP 3.80
    HBond donors 3
    HBond acceptors 6
    Atoms 56
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1018187.