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canSAR504306
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NAMES
    SMILES
    Cc1nc2c([nH]1)C(=O)/C(=N/c1ccc(I)cc1)C(Cl)=C2O
    InChI
    InChI=1S/C14H9ClIN3O2/c1-6-17-11-12(18-6)14(21)10(9(15)13(11)20)19-8-4-2-7(16)3-5-8/h2-5,20H,1H3,(H,17,18)/b19-10+
    MOLECULAR FORMULA
    C14H9ClIN3O2
    CROSS REFERENCES
    504306 logo

    canSAR504306

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 412.94
    AlogP 3.76
    HBond donors 2
    HBond acceptors 5
    Atoms 30
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR504306.