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canSAR1444890
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NAMES
    SMILES
    COc1cccc(C#N)c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
    InChI
    InChI=1S/C21H17N3O2/c1-26-18-4-2-3-16(11-22)20(18)15-8-7-14-10-19(23-12-17(14)9-15)24-21(25)13-5-6-13/h2-4,7-10,12-13H,5-6H2,1H3,(H,23,24,25)
    MOLECULAR FORMULA
    C21H17N3O2
    CROSS REFERENCES
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    canSAR1444890

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 343.13
    AlogP 4.13
    HBond donors 1
    HBond acceptors 5
    Atoms 43
    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 canSAR1444890.