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canSAR1597300
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NAMES
    SMILES
    CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)sc1C(N1CCOCC1)CO2
    InChI
    InChI=1S/C21H23N3O4S/c1-21(2,26)6-5-13-3-4-16-14(11-13)17-18(29-20(23-17)19(22)25)15(12-28-16)24-7-9-27-10-8-24/h3-4,11,15,26H,7-10,12H2,1-2H3,(H2,22,25)
    MOLECULAR FORMULA
    C21H23N3O4S
    CROSS REFERENCES
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    canSAR1597300

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 413.14
    AlogP 1.80
    HBond donors 3
    HBond acceptors 7
    Atoms 52
    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 canSAR1597300.