
 CHEMBL267336

 68 71  0  0  0  0  0  0  0  0999 V2000
   -2.1379    3.0975   -0.1632 C   0  0  0  0  0
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   11.1733   10.0764    1.5874 C   0  0  0  0  0
   12.2393   10.1901    2.6719 C   0  0  0  0  0
   11.7116   10.6026    3.8492 F   0  0  0  0  0
   12.8160    8.9793    2.8937 F   0  0  0  0  0
   13.2294   11.0439    2.3384 F   0  0  0  0  0
    0.4572    3.2803    3.2671 S   0  0  0  0  0
    1.5719    3.5056    4.1651 O   0  0  0  0  0
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    0.2637    1.6118    3.2399 N   0  0  0  0  0
   -1.9734    2.5283   -1.0827 H   0  0  0  0  0
   -2.2372    4.1685   -0.3731 H   0  0  0  0  0
   -3.0798    2.7534    0.2747 H   0  0  0  0  0
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    4.5925    5.0942    0.8748 H   0  0  0  0  0
    3.3991    7.1989    0.0476 H   0  0  0  0  0
    3.5037    6.5635   -1.5817 H   0  0  0  0  0
    4.7231    8.3143   -2.4758 H   0  0  0  0  0
    6.3113    8.7032   -1.8795 H   0  0  0  0  0
    4.7863   10.5243   -1.3167 H   0  0  0  0  0
    3.6348    9.4179   -0.5924 H   0  0  0  0  0
    4.6924   10.3657    1.2578 H   0  0  0  0  0
    6.2210    8.5296    2.2187 H   0  0  0  0  0
    4.5966    8.0764    1.7418 H   0  0  0  0  0
    7.1656    7.6030    0.1438 H   0  0  0  0  0
    6.2356    6.4008    0.9631 H   0  0  0  0  0
    6.8009   13.3231    3.1168 H   0  0  0  0  0
    7.2134   15.5880    4.0246 H   0  0  0  0  0
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    9.7499   14.0587    0.0416 H   0  0  0  0  0
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   10.2620   10.2546   -0.7710 H   0  0  0  0  0
   11.4784    9.3009    0.8743 H   0  0  0  0  0
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   -0.7234    1.3790    3.3461 H   0  0  0  0  0
    0.8835    1.1768    3.9210 H   0  0  0  0  0
  1  2  1  0  0  0
  1 40  1  0  0  0
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 39 68  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL267336

>  <PubChem CID>
9872851

>  <Formula>
C26H29F4N3O5S

>  <Molecular Weight>
571.588000

>  <IUPAC Name>
5-[2-[4-[5-(4-fluorophenyl)-4-(2,2,2-trifluoroethoxymethyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethyl]-2-methoxybenzenesulfonamide

>  <XlogP>
4.000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
12

>  <Canonical SMILES>
COC1=C(C=C(C=C1)CCN2CCC(CC2)C3=NC(=C(O3)C4=CC=C(C=C4)F)COCC(F)(F)F)S(=O)(=O)N

>  <Isomeric SMILES>
COC1=C(C=C(C=C1)CCN2CCC(CC2)C3=NC(=C(O3)C4=CC=C(C=C4)F)COCC(F)(F)F)S(=O)(=O)N

>  <InChI Std. ID>
InChI=1S/C26H29F4N3O5S/c1-36-22-7-2-17(14-23(22)39(31,34)35)8-11-33-12-9-19(10-13-33)25-32-21(15-37-16-26(28,29)30)24(38-25)18-3-5-20(27)6-4-18/h2-7,14,19H,8-13,15-16H2,1H3,(H2,31,34,35)

>  <InChI Key>
AYXYFVWLDFTBIK-UHFFFAOYSA-N

