
 CHEMBL158367

 71 70  0  0  0  0  0  0  0  0999 V2000
   17.9799   12.3901   -6.9703 C   0  0  0  0  0
   16.6829   11.6372   -6.7211 C   0  0  0  0  0
   15.5419   12.5895   -6.3643 C   0  0  0  0  0
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   14.1809   14.9688    2.1781 O   0  0  0  0  0
   14.7729   14.2533    4.2789 N   0  0  0  0  0
   13.7658   15.1257    4.8854 C   0  0  0  0  0
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   18.7821   11.6897   -7.2229 H   0  0  0  0  0
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   16.8363   10.9187   -5.9074 H   0  0  0  0  0
   16.4220   11.0620   -7.6170 H   0  0  0  0  0
   15.3895   13.3060   -7.1805 H   0  0  0  0  0
   15.8139   13.1679   -5.4728 H   0  0  0  0  0
   14.4075   11.0891   -5.3064 H   0  0  0  0  0
   13.9570   11.2659   -7.0027 H   0  0  0  0  0
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   13.4164   13.3611   -4.8242 H   0  0  0  0  0
   11.2863   11.6526   -6.2676 H   0  0  0  0  0
   11.9786   12.1358   -3.3140 H   0  0  0  0  0
    9.4880   10.9498   -4.7053 H   0  0  0  0  0
    9.5876   11.5923   -3.0778 H   0  0  0  0  0
   10.5826    8.8797   -4.1012 H   0  0  0  0  0
   10.5402   10.1029   -1.2847 H   0  0  0  0  0
   10.6242    7.1872   -2.2564 H   0  0  0  0  0
   10.4124    7.7688   -0.6167 H   0  0  0  0  0
   13.0364    7.6740   -2.2436 H   0  0  0  0  0
   12.4617    7.9956    0.7558 H   0  0  0  0  0
   14.9943    7.1915   -0.8047 H   0  0  0  0  0
   14.7246    7.0858    0.9249 H   0  0  0  0  0
   15.2294    9.6553   -0.7239 H   0  0  0  0  0
   15.5574    8.9870    2.2560 H   0  0  0  0  0
   16.5757   11.2959    0.4741 H   0  0  0  0  0
   17.1353   10.8663    2.0859 H   0  0  0  0  0
   14.8608   11.5407    3.0087 H   0  0  0  0  0
   14.3710   12.0189    1.3967 H   0  0  0  0  0
   16.1608   13.7240    1.2769 H   0  0  0  0  0
   16.7985   13.2465    2.8316 H   0  0  0  0  0
   13.6618   16.0343    4.2808 H   0  0  0  0  0
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   12.5132   13.5078    5.5912 H   0  0  0  0  0
   12.0709   14.1103    3.9994 H   0  0  0  0  0
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   10.4053   14.7997    5.6896 H   0  0  0  0  0
   11.2177   16.2295    5.0300 H   0  0  0  0  0
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   15.0175   13.1910    6.0673 H   0  0  0  0  0
   16.6054   15.1740    6.1422 H   0  0  0  0  0
   17.4833   14.5002    4.7668 H   0  0  0  0  0
   17.1901   13.4003    7.3640 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL158367

>  <PubChem CID>
5283412

>  <Formula>
C25H43NO2

>  <Molecular Weight>
389.624000

>  <IUPAC Name>
(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-N-propylicosa-5,8,11,14-tetraenamide

>  <XlogP>
6.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCCCC=CCC=CCC=CCC=CCCCC(=O)N(CCC)CCO

>  <Isomeric SMILES>
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N(CCC)CCO

>  <InChI Std. ID>
InChI=1S/C25H43NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)26(22-4-2)23-24-27/h8-9,11-12,14-15,17-18,27H,3-7,10,13,16,19-24H2,1-2H3/b9-8-,12-11-,15-14-,18-17-

>  <InChI Key>
AMQKYUDWPCUALW-GKFVBPDJSA-N

