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canSAR1719845
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NAMES
    SMILES
    COCCN(C(S)=Nc1ccc(C)cc1C)C(C)c1ccco1
    InChI
    InChI=1S/C18H24N2O2S/c1-13-7-8-16(14(2)12-13)19-18(23)20(9-11-21-4)15(3)17-6-5-10-22-17/h5-8,10,12,15H,9,11H2,1-4H3,(H,19,23)
    MOLECULAR FORMULA
    C18H24N2O2S
    CROSS REFERENCES
    1719845 logo

    canSAR1719845

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 332.16
    AlogP 4.52
    HBond donors 0
    HBond acceptors 4
    Atoms 47
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1719845.