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canSAR115504
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NAMES
    SMILES
    CCCOc1ccc(Oc2ncc(C#CC(C)NC(C)=O)s2)cc1
    InChI
    InChI=1S/C18H20N2O3S/c1-4-11-22-15-6-8-16(9-7-15)23-18-19-12-17(24-18)10-5-13(2)20-14(3)21/h6-9,12-13H,4,11H2,1-3H3,(H,20,21)
    MOLECULAR FORMULA
    C18H20N2O3S
    CROSS REFERENCES
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    canSAR115504

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 344.12
    AlogP 3.60
    HBond donors 1
    HBond acceptors 5
    Atoms 44
    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 canSAR115504.