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canSAR1092780
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NAMES
    SMILES
    CCOC(=O)/C(C#N)=C\Nc1ccc2ncnc(Nc3ccccc3Cl)c2c1
    InChI
    InChI=1S/C20H16ClN5O2/c1-2-28-20(27)13(10-22)11-23-14-7-8-17-15(9-14)19(25-12-24-17)26-18-6-4-3-5-16(18)21/h3-9,11-12,23H,2H2,1H3,(H,24,25,26)/b13-11-
    MOLECULAR FORMULA
    C20H16ClN5O2
    CROSS REFERENCES
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    canSAR1092780

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 393.10
    AlogP 4.41
    HBond donors 2
    HBond acceptors 7
    Atoms 44
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1092780.