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canSAR1596372
FEATURES
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NAMES
    SMILES
    Cc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(C(C)C)C1=O
    InChI
    InChI=1S/C18H22N2O3S/c1-12(2)20-17(21)16(24-18(20)22)11-14-4-5-15(10-13(14)3)19-6-8-23-9-7-19/h4-5,10-12H,6-9H2,1-3H3/b16-11-
    MOLECULAR FORMULA
    C18H22N2O3S
    CROSS REFERENCES
    1596372 logo

    canSAR1596372

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 346.14
    AlogP 3.28
    HBond donors 0
    HBond acceptors 5
    Atoms 46
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1596372.