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canSAR1723968
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NAMES
    SMILES
    CCOc1ccc(-c2[nH]nc3c2C(c2ccc(O)cc2)C(C#N)=C(N)O3)cc1
    InChI
    InChI=1S/C21H18N4O3/c1-2-27-15-9-5-13(6-10-15)19-18-17(12-3-7-14(26)8-4-12)16(11-22)20(23)28-21(18)25-24-19/h3-10,17,26H,2,23H2,1H3,(H,24,25)
    MOLECULAR FORMULA
    C21H18N4O3
    CROSS REFERENCES
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    canSAR1723968

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 374.14
    AlogP 3.40
    HBond donors 4
    HBond acceptors 7
    Atoms 46
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1723968.