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canSAR1649982
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NAMES
    SMILES
    O=C(Cn1cc(SCc2ccc(C(F)(F)F)cc2)c2ccccc21)N1CCOCC1
    InChI
    InChI=1S/C22H21F3N2O2S/c23-22(24,25)17-7-5-16(6-8-17)15-30-20-13-27(19-4-2-1-3-18(19)20)14-21(28)26-9-11-29-12-10-26/h1-8,13H,9-12,14-15H2
    MOLECULAR FORMULA
    C22H21F3N2O2S
    CROSS REFERENCES
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    canSAR1649982

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 434.13
    AlogP 4.81
    HBond donors 0
    HBond acceptors 4
    Atoms 51
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1649982.