canSAR714406
FEATURES
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NAMES
    SMILES
    N#Cc1cnc2cnc(NCCN3CCOCC3)cc2c1Nc1cccc(I)c1
    InChI
    InChI=1S/C21H21IN6O/c22-16-2-1-3-17(10-16)27-21-15(12-23)13-25-19-14-26-20(11-18(19)21)24-4-5-28-6-8-29-9-7-28/h1-3,10-11,13-14H,4-9H2,(H,24,26)(H,25,27)
    MOLECULAR FORMULA
    C21H21IN6O
    CROSS REFERENCES
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    canSAR714406
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight500.08
    AlogP3.59
    HBond donors2
    HBond acceptors7
    Atoms50
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR714406.