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canSAR1402730
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NAMES
    SMILES
    CCN=C1S/C(=C\c2ccc(O)c(OCC)c2)C(=O)N1CC
    InChI
    InChI=1S/C16H20N2O3S/c1-4-17-16-18(5-2)15(20)14(22-16)10-11-7-8-12(19)13(9-11)21-6-3/h7-10,19H,4-6H2,1-3H3/b14-10-,17-16?
    MOLECULAR FORMULA
    C16H20N2O3S
    CROSS REFERENCES
    1402730 logo

    canSAR1402730

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 320.12
    AlogP 3.10
    HBond donors 1
    HBond acceptors 5
    Atoms 42
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1402730.