
 CHEMBL120944

 79 78  0  0  0  0  0  0  0  0999 V2000
   11.6124    5.2495  -11.7294 C   0  0  0  0  0
   10.5520    5.7557  -10.7648 C   0  0  0  0  0
   10.9893    5.5831   -9.3105 C   0  0  0  0  0
    9.9153    6.0852   -8.3442 C   0  0  0  0  0
   10.3618    5.9339   -6.8894 C   0  0  0  0  0
    9.2874    6.4386   -5.9212 C   0  0  0  0  0
    9.7610    6.3190   -4.4671 C   0  0  0  0  0
    8.7605    6.8112   -3.3842 C   0  0  0  0  0
    8.3542    8.2775   -3.6360 C   0  0  0  0  0
    7.4785    5.9554   -3.3905 C   0  0  0  0  0
    9.4431    6.6098   -2.0302 C   0  0  0  0  0
   10.0269    7.5544   -1.2727 C   0  0  0  0  0
   10.7088    7.2927    0.0385 C   0  0  0  0  0
   12.2011    7.3312   -0.1161 C   0  0  0  0  0
   12.9585    8.4104    0.1417 C   0  0  0  0  0
   14.4486    8.4585   -0.0251 C   0  0  0  0  0
   14.8252    9.1268   -1.3143 C   0  0  0  0  0
   15.2546   10.3948   -1.4151 C   0  0  0  0  0
   15.6100   11.0623   -2.7114 C   0  0  0  0  0
   14.4511   11.8551   -3.2384 C   0  0  0  0  0
   14.3572   13.1932   -3.1945 C   0  0  0  0  0
   13.1695   13.9537   -3.7113 C   0  0  0  0  0
   12.2528   14.3770   -2.5614 C   0  0  0  0  0
   11.0889   15.2746   -3.0206 C   0  0  0  0  0
   10.0649   14.4939   -3.8485 C   0  0  0  0  0
   10.4151   15.8897   -1.7957 C   0  0  0  0  0
    9.3510   15.4726   -1.3410 O   0  0  0  0  0
   11.0388   16.9154   -1.1427 N   0  0  0  0  0
   12.1404   17.7423   -1.6054 C   0  0  0  0  0
   11.6787   18.9145   -2.4600 C   0  0  0  0  0
   12.7676   19.6266   -2.8549 F   0  0  0  0  0
   11.2812    5.3880  -12.7633 H   0  0  0  0  0
   11.8063    4.1833  -11.5746 H   0  0  0  0  0
   12.5537    5.7929  -11.5985 H   0  0  0  0  0
    9.6168    5.2112  -10.9401 H   0  0  0  0  0
   10.3547    6.8142  -10.9706 H   0  0  0  0  0
   11.9233    6.1328   -9.1408 H   0  0  0  0  0
   11.1967    4.5247   -9.1112 H   0  0  0  0  0
    8.9860    5.5253   -8.5041 H   0  0  0  0  0
    9.6978    7.1398   -8.5531 H   0  0  0  0  0
   11.2909    6.4955   -6.7322 H   0  0  0  0  0
   10.5810    4.8802   -6.6784 H   0  0  0  0  0
    8.3698    5.8595   -6.0700 H   0  0  0  0  0
    9.0607    7.4833   -6.1597 H   0  0  0  0  0
   10.6991    6.8832   -4.3663 H   0  0  0  0  0
   10.0185    5.2684   -4.2715 H   0  0  0  0  0
    9.2297    8.9216   -3.7756 H   0  0  0  0  0
    7.7683    8.6778   -2.7998 H   0  0  0  0  0
    7.7311    8.3748   -4.5319 H   0  0  0  0  0
    7.7087    4.8873   -3.2986 H   0  0  0  0  0
    6.9045    6.0908   -4.3133 H   0  0  0  0  0
    6.8189    6.2246   -2.5566 H   0  0  0  0  0
    9.4837    5.5785   -1.6775 H   0  0  0  0  0
   10.0453    8.5908   -1.6008 H   0  0  0  0  0
   10.4206    6.3175    0.4490 H   0  0  0  0  0
   10.3716    8.0406    0.7665 H   0  0  0  0  0
   12.6688    6.4191   -0.4807 H   0  0  0  0  0
   12.4849    9.3311    0.4775 H   0  0  0  0  0
   14.8789    7.4499   -0.0117 H   0  0  0  0  0
   14.8823    8.9855    0.8334 H   0  0  0  0  0
   14.7136    8.5240   -2.2141 H   0  0  0  0  0
   15.3381   11.0084   -0.5204 H   0  0  0  0  0
   15.9035   10.3217   -3.4652 H   0  0  0  0  0
   16.4881   11.6997   -2.5522 H   0  0  0  0  0
   13.6349   11.2729   -3.6637 H   0  0  0  0  0
   15.1605   13.7779   -2.7517 H   0  0  0  0  0
   12.6170   13.3440   -4.4348 H   0  0  0  0  0
   13.5309   14.8357   -4.2526 H   0  0  0  0  0
   12.8501   14.8915   -1.7980 H   0  0  0  0  0
   11.8500   13.4844   -2.0623 H   0  0  0  0  0
   11.4656   16.0890   -3.6495 H   0  0  0  0  0
    9.6928   13.6184   -3.3051 H   0  0  0  0  0
   10.4955   14.1501   -4.7936 H   0  0  0  0  0
    9.2016   15.1236   -4.0902 H   0  0  0  0  0
   10.5116   17.2356   -0.3372 H   0  0  0  0  0
   12.8606   17.1427   -2.1672 H   0  0  0  0  0
   12.6620   18.1158   -0.7177 H   0  0  0  0  0
   11.0199   19.5821   -1.8963 H   0  0  0  0  0
   11.1484   18.5784   -3.3559 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  2 36  1  0  0  0
  3  4  1  0  0  0
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  3 38  1  0  0  0
  4  5  1  0  0  0
  4 39  1  0  0  0
  4 40  1  0  0  0
  5  6  1  0  0  0
  5 41  1  0  0  0
  5 42  1  0  0  0
  6  7  1  0  0  0
  6 43  1  0  0  0
  6 44  1  0  0  0
  7  8  1  0  0  0
  7 45  1  0  0  0
  7 46  1  0  0  0
  8 11  1  0  0  0
  8 10  1  0  0  0
  8  9  1  0  0  0
  9 47  1  0  0  0
  9 48  1  0  0  0
  9 49  1  0  0  0
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 15 16  1  0  0  0
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 22 23  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL120944

>  <PubChem CID>
5283439

>  <Formula>
C28H48FNO

>  <Molecular Weight>
433.696000

>  <IUPAC Name>
(5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2,16,16-trimethyltricosa-5,8,11,14-tetraenamide

>  <XlogP>
9.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCCCCCC(C)(C)C=CCC=CCC=CCC=CCCC(C)C(=O)NCCF

>  <Isomeric SMILES>
CCCCCCCC(C)(C)/C=C\C/C=C\C/C=C\C/C=C\CCC(C)C(=O)NCCF

>  <InChI Std. ID>
InChI=1S/C28H48FNO/c1-5-6-7-16-19-22-28(3,4)23-20-17-14-12-10-8-9-11-13-15-18-21-26(2)27(31)30-25-24-29/h8-9,12-15,20,23,26H,5-7,10-11,16-19,21-22,24-25H2,1-4H3,(H,30,31)/b9-8-,14-12-,15-13-,23-20-

>  <InChI Key>
FNVGQXLOPHGANI-RPHFINAJSA-N

