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canSAR558149
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NAMES
    SMILES
    Cc1nc(-[n+]2nc(-c3ccccc3)nn2-c2ccc(I)cc2)sc1C
    InChI
    InChI=1S/C18H15IN5S/c1-12-13(2)25-18(20-12)24-22-17(14-6-4-3-5-7-14)21-23(24)16-10-8-15(19)9-11-16/h3-11H,1-2H3/q+1
    MOLECULAR FORMULA
    C18H15IN5S+
    CROSS REFERENCES
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    canSAR558149

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 460.01
    AlogP 3.89
    HBond donors 0
    HBond acceptors 5
    Atoms 40
    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 canSAR558149.