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canSAR1619082
FEATURES
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NAMES
    SMILES
    CC(C)CC(C(=O)C(C#N)c1nc2ccccc2[nH]1)N1C(=O)c2ccccc2C1=O
    InChI
    InChI=1S/C23H20N4O3/c1-13(2)11-19(27-22(29)14-7-3-4-8-15(14)23(27)30)20(28)16(12-24)21-25-17-9-5-6-10-18(17)26-21/h3-10,13,16,19H,11H2,1-2H3,(H,25,26)
    MOLECULAR FORMULA
    C23H20N4O3
    CROSS REFERENCES
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    canSAR1619082

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 400.15
    AlogP 3.45
    HBond donors 1
    HBond acceptors 7
    Atoms 50
    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 canSAR1619082.