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canSAR1968718
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NAMES
    SMILES
    CC1(C)OCC(CSC2=C(SCC3COC(C)(C)O3)C(=O)c3ncccc3C2=O)O1
    InChI
    InChI=1S/C21H25NO6S2/c1-20(2)25-8-12(27-20)10-29-18-16(23)14-6-5-7-22-15(14)17(24)19(18)30-11-13-9-26-21(3,4)28-13/h5-7,12-13H,8-11H2,1-4H3
    MOLECULAR FORMULA
    C21H25NO6S2
    CROSS REFERENCES
    1968718 logo

    canSAR1968718

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 451.11
    AlogP 3.44
    HBond donors 0
    HBond acceptors 7
    Atoms 55
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1968718.