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canSAR1689640
FEATURES
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NAMES
    SMILES
    COc1ccc(NCC(=O)Nc2cccc(C(F)(F)F)c2)cc1S(=O)(=O)N1CCOCC1
    InChI
    InChI=1S/C20H22F3N3O5S/c1-30-17-6-5-15(12-18(17)32(28,29)26-7-9-31-10-8-26)24-13-19(27)25-16-4-2-3-14(11-16)20(21,22)23/h2-6,11-12,24H,7-10,13H2,1H3,(H,25,27)
    MOLECULAR FORMULA
    C20H22F3N3O5S
    CROSS REFERENCES
    1689640 logo

    canSAR1689640

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 473.12
    AlogP 2.79
    HBond donors 2
    HBond acceptors 8
    Atoms 54
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1689640.