
 CHEMBL137801

 50 52  0  0  0  0  0  0  0  0999 V2000
   -2.7719    1.3752   -1.6189 C   0  0  0  0  0
   -1.8864    2.2795   -2.1953 C   0  0  0  0  0
   -0.5195    2.2050   -1.9057 C   0  0  0  0  0
   -0.0053    1.2344   -1.0255 C   0  0  0  0  0
   -0.9269    0.3379   -0.4523 C   0  0  0  0  0
   -2.2924    0.4021   -0.7490 C   0  0  0  0  0
    1.4427    1.1538   -0.7206 C   0  0  0  0  0
    2.2479    2.3015   -0.6453 C   0  0  0  0  0
    3.6168    2.1977   -0.3791 C   0  0  0  0  0
    4.2043    1.0022   -0.1349 N   0  0  0  0  0
    3.4262   -0.0948   -0.1957 C   0  0  0  0  0
    2.0753   -0.0717   -0.4967 C   0  0  0  0  0
    3.9640   -1.3424    0.0491 O   0  0  0  0  0
    5.3465   -1.3119    0.4060 C   0  0  0  0  0
    5.8130   -2.7472    0.6552 C   0  0  0  0  0
    5.6787   -3.6186   -0.5975 C   0  0  0  0  0
    6.2100   -5.0351   -0.3572 C   0  0  0  0  0
    6.0174   -5.9384   -1.5747 C   0  0  0  0  0
    6.8725   -5.5236   -2.7416 C   0  0  0  0  0
    7.9612   -4.9766   -2.6994 O   0  0  0  0  0
    6.3214   -5.8625   -3.9231 O   0  0  0  0  0
    4.5186    3.3712   -0.3563 C   0  0  0  0  0
    4.3029    4.4936   -1.1827 C   0  0  0  0  0
    5.1689    5.5918   -1.1590 C   0  0  0  0  0
    6.2669    5.5797   -0.3112 C   0  0  0  0  0
    6.5182    4.4903    0.5097 C   0  0  0  0  0
    5.6503    3.3942    0.4839 C   0  0  0  0  0
    7.0971    6.6301   -0.2922 F   0  0  0  0  0
   -3.8329    1.4281   -1.8478 H   0  0  0  0  0
   -2.2553    3.0420   -2.8765 H   0  0  0  0  0
    0.1430    2.9149   -2.3960 H   0  0  0  0  0
   -0.5943   -0.4253    0.2481 H   0  0  0  0  0
   -2.9790   -0.3088   -0.2962 H   0  0  0  0  0
    1.8021    3.2832   -0.7735 H   0  0  0  0  0
    1.5365   -1.0112   -0.5549 H   0  0  0  0  0
    5.4839   -0.7330    1.3276 H   0  0  0  0  0
    5.9436   -0.8684   -0.4005 H   0  0  0  0  0
    5.2102   -3.1888    1.4583 H   0  0  0  0  0
    6.8562   -2.7334    0.9909 H   0  0  0  0  0
    6.2263   -3.1489   -1.4227 H   0  0  0  0  0
    4.6261   -3.6743   -0.9001 H   0  0  0  0  0
    5.6781   -5.4794    0.4930 H   0  0  0  0  0
    7.2710   -4.9903   -0.0835 H   0  0  0  0  0
    4.9637   -5.9269   -1.8758 H   0  0  0  0  0
    6.2873   -6.9689   -1.3199 H   0  0  0  0  0
    6.9712   -5.5484   -4.5863 H   0  0  0  0  0
    3.4660    4.5185   -1.8771 H   0  0  0  0  0
    4.9960    6.4484   -1.8028 H   0  0  0  0  0
    7.3862    4.4946    1.1605 H   0  0  0  0  0
    5.8616    2.5427    1.1294 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  3  4  2  0  0  0
  3 31  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 32  1  0  0  0
  6 33  1  0  0  0
  7 12  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 34  1  0  0  0
  9 10  2  0  0  0
  9 22  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 13  1  0  0  0
 12 35  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 36  1  0  0  0
 14 37  1  0  0  0
 15 16  1  0  0  0
 15 38  1  0  0  0
 15 39  1  0  0  0
 16 17  1  0  0  0
 16 40  1  0  0  0
 16 41  1  0  0  0
 17 18  1  0  0  0
 17 42  1  0  0  0
 17 43  1  0  0  0
 18 19  1  0  0  0
 18 44  1  0  0  0
 18 45  1  0  0  0
 19 21  1  0  0  0
 19 20  2  0  0  0
 21 46  1  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
 23 47  1  0  0  0
 24 25  2  0  0  0
 24 48  1  0  0  0
 25 26  1  0  0  0
 25 28  1  0  0  0
 26 27  2  0  0  0
 26 49  1  0  0  0
 27 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL137801

>  <PubChem CID>
10362331

>  <Formula>
C23H22FNO3

>  <Molecular Weight>
379.431000

>  <IUPAC Name>
6-[6-(4-fluorophenyl)-4-phenylpyridin-2-yl]oxyhexanoic acid

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CC=C(C=C1)C2=CC(=NC(=C2)OCCCCCC(=O)O)C3=CC=C(C=C3)F

>  <Isomeric SMILES>
C1=CC=C(C=C1)C2=CC(=NC(=C2)OCCCCCC(=O)O)C3=CC=C(C=C3)F

>  <InChI Std. ID>
InChI=1S/C23H22FNO3/c24-20-12-10-18(11-13-20)21-15-19(17-7-3-1-4-8-17)16-22(25-21)28-14-6-2-5-9-23(26)27/h1,3-4,7-8,10-13,15-16H,2,5-6,9,14H2,(H,26,27)

>  <InChI Key>
BGDZTYGXZZTYSF-UHFFFAOYSA-N

