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canSAR781379
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NAMES
    SMILES
    CN1CCN(C2=Nc3cc(I)ccc3Nc3ccccc32)CC1
    InChI
    InChI=1S/C18H19IN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
    MOLECULAR FORMULA
    C18H19IN4
    CROSS REFERENCES
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    canSAR781379

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 418.07
    AlogP 3.67
    HBond donors 1
    HBond acceptors 4
    Atoms 42
    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 canSAR781379.