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canSAR1012731
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NAMES
    SMILES
    Cn1c(=O)c2c(ccn2CC(=O)Nc2ccc(I)cc2)n(C)c1=O
    InChI
    InChI=1S/C16H15IN4O3/c1-19-12-7-8-21(14(12)15(23)20(2)16(19)24)9-13(22)18-11-5-3-10(17)4-6-11/h3-8H,9H2,1-2H3,(H,18,22)
    MOLECULAR FORMULA
    C16H15IN4O3
    CROSS REFERENCES
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    canSAR1012731

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 438.02
    AlogP 1.28
    HBond donors 1
    HBond acceptors 7
    Atoms 39
    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 canSAR1012731.