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canSAR504441
FEATURES
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NAMES
    SMILES
    COc1cc2ncnc(Nc3cccc(I)c3)c2cc1OC
    InChI
    InChI=1S/C16H14IN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
    MOLECULAR FORMULA
    C16H14IN3O2
    CROSS REFERENCES
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    canSAR504441

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 407.01
    AlogP 4.00
    HBond donors 1
    HBond acceptors 5
    Atoms 36
    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 canSAR504441.