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canSAR1092310
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NAMES
    SMILES
    COC1=C(c2cccc(F)c2)C(=O)OC1C(O)c1ccc(N2CCOCC2)c(F)c1
    InChI
    InChI=1S/C22H21F2NO5/c1-28-20-18(13-3-2-4-15(23)11-13)22(27)30-21(20)19(26)14-5-6-17(16(24)12-14)25-7-9-29-10-8-25/h2-6,11-12,19,21,26H,7-10H2,1H3
    MOLECULAR FORMULA
    C22H21F2NO5
    CROSS REFERENCES
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    canSAR1092310

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 417.14
    AlogP 2.82
    HBond donors 1
    HBond acceptors 6
    Atoms 51
    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 canSAR1092310.