
 CHEMBL3401390

 71 74  0  0  0  0  0  0  0  0999 V2000
    1.4596   -0.6339    1.1731 C   0  0  0  0  0
    0.6177    0.5146    0.6286 C   0  0  0  0  0
    1.4216    1.5484   -0.2010 C   0  0  0  0  0
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    4.1373    2.7760   -1.1343 C   0  0  0  0  0
    5.0377    3.8201   -1.7853 C   0  0  0  0  0
    5.5056    4.8457   -0.8543 N   0  0  0  0  0
    5.6793    4.4214    0.5305 C   0  0  0  0  0
    4.3944    3.8447    1.1336 C   0  0  0  0  0
    6.2016    5.9037   -1.4384 C   0  0  0  0  0
    6.3919    5.9410   -2.6523 O   0  0  0  0  0
    6.5632    6.9069   -0.5594 N   0  0  0  0  0
    7.2204    8.0838   -0.9842 C   0  0  0  0  0
    8.1439    8.0833   -2.0292 C   0  0  0  0  0
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    6.8749    9.2865   -0.3716 C   0  0  0  0  0
    6.9212   11.7353   -0.4449 O   0  0  0  0  0
    5.6041   11.9573   -0.0363 C   0  0  0  0  0
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    4.0462   13.5077    0.9044 C   0  0  0  0  0
    3.0764   12.5101    0.8649 C   0  0  0  0  0
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    9.4891    9.3710   -3.6224 O   0  0  0  0  0
    9.5246    8.3327   -4.5280 C   0  0  0  0  0
   10.7810    7.8214   -4.8613 C   0  0  0  0  0
   10.8781    6.7547   -5.7599 C   0  0  0  0  0
    9.7215    6.2211   -6.3212 C   0  0  0  0  0
    8.4701    6.7463   -6.0190 C   0  0  0  0  0
    8.3711    7.8209   -5.1347 C   0  0  0  0  0
    9.8165    5.1860   -7.1659 F   0  0  0  0  0
    2.5969    4.4705   -0.3150 O   0  0  0  0  0
    0.8113   -1.3734    1.6546 H   0  0  0  0  0
    2.1796   -0.2968    1.9226 H   0  0  0  0  0
    2.0018   -1.1366    0.3667 H   0  0  0  0  0
    0.1084    1.0176    1.4600 H   0  0  0  0  0
   -0.1629    0.0598    0.0107 H   0  0  0  0  0
    1.9827    0.9901   -0.9606 H   0  0  0  0  0
    1.0596    3.2176   -1.5430 H   0  0  0  0  0
   -0.0861    3.1232   -0.2056 H   0  0  0  0  0
    0.0152    1.2093   -2.6015 H   0  0  0  0  0
   -1.0344    2.6288   -2.4741 H   0  0  0  0  0
   -1.2677    1.2781   -1.3709 H   0  0  0  0  0
    3.0723    1.5388    1.1977 H   0  0  0  0  0
    1.8696    2.7854    1.5187 H   0  0  0  0  0
    3.4516    2.4091   -1.9055 H   0  0  0  0  0
    4.7464    1.9204   -0.8159 H   0  0  0  0  0
    5.9101    3.3355   -2.2404 H   0  0  0  0  0
    4.4920    4.3233   -2.5923 H   0  0  0  0  0
    6.4662    3.6553    0.5232 H   0  0  0  0  0
    6.0547    5.2281    1.1670 H   0  0  0  0  0
    4.6852    3.0410    1.8209 H   0  0  0  0  0
    3.9172    4.6208    1.7457 H   0  0  0  0  0
    5.9186    7.0260    0.2075 H   0  0  0  0  0
    8.4793    7.1370   -2.4426 H   0  0  0  0  0
    8.5358   11.4359   -2.4223 H   0  0  0  0  0
    6.2140    9.2834    0.4888 H   0  0  0  0  0
    6.1074   13.9862    0.4724 H   0  0  0  0  0
    3.8026   14.4926    1.2911 H   0  0  0  0  0
    2.0696   12.6915    1.2235 H   0  0  0  0  0
    2.7125   10.4651    0.2918 H   0  0  0  0  0
   11.6769    8.2363   -4.4115 H   0  0  0  0  0
   11.8436    6.3325   -6.0185 H   0  0  0  0  0
    7.5793    6.3125   -6.4615 H   0  0  0  0  0
    7.3909    8.2262   -4.8945 H   0  0  0  0  0
    3.1996    5.1419   -0.6853 H   0  0  0  0  0
  1  2  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  1 40  1  0  0  0
  2  3  1  0  0  0
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  7 12  1  0  0  0
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 29 30  1  0  0  0
 30 31  2  0  0  0
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 31 32  1  0  0  0
 31 67  1  0  0  0
 32 33  2  0  0  0
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 33 34  1  0  0  0
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 35 70  1  0  0  0
 37 71  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3401390

>  <PubChem CID>
118728434

>  <Formula>
C29H34FN3O4

>  <Molecular Weight>
507.606000

>  <IUPAC Name>
4-(2-ethylbutyl)-N-[3-(4-fluorophenoxy)-5-pyridin-2-yloxyphenyl]-4-hydroxypiperidine-1-carboxamide

>  <XlogP>
6.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCC(CC)CC1(CCN(CC1)C(=O)NC2=CC(=CC(=C2)OC3=CC=CC=N3)OC4=CC=C(C=C4)F)O

>  <Isomeric SMILES>
CCC(CC)CC1(CCN(CC1)C(=O)NC2=CC(=CC(=C2)OC3=CC=CC=N3)OC4=CC=C(C=C4)F)O

>  <InChI Std. ID>
InChI=1S/C29H34FN3O4/c1-3-21(4-2)20-29(35)12-15-33(16-13-29)28(34)32-23-17-25(36-24-10-8-22(30)9-11-24)19-26(18-23)37-27-7-5-6-14-31-27/h5-11,14,17-19,21,35H,3-4,12-13,15-16,20H2,1-2H3,(H,32,34)

>  <InChI Key>
GQXAQOPTSBSULA-UHFFFAOYSA-N

