
 CHEMBL274016

 62 61  0  0  0  0  0  0  0  0999 V2000
   15.4979    0.2677   -5.4250 C   0  0  0  0  0
   14.3296    0.8860   -4.6744 C   0  0  0  0  0
   13.5366    1.8455   -5.5617 C   0  0  0  0  0
   12.3696    2.4698   -4.7950 C   0  0  0  0  0
   11.6033    3.4715   -5.6604 C   0  0  0  0  0
   10.4807    4.1001   -4.8852 C   0  0  0  0  0
   10.5301    5.3507   -4.3995 C   0  0  0  0  0
    9.4417    6.0005   -3.5972 C   0  0  0  0  0
    9.8254    6.0757   -2.1481 C   0  0  0  0  0
   10.3125    7.1765   -1.5523 C   0  0  0  0  0
   10.7339    7.2428   -0.1135 C   0  0  0  0  0
   12.2271    7.1575    0.0051 C   0  0  0  0  0
   13.0290    8.2060    0.2522 C   0  0  0  0  0
   14.5260    8.1224    0.3133 C   0  0  0  0  0
   15.1266    8.5638   -0.9884 C   0  0  0  0  0
   15.7578    9.7322   -1.1816 C   0  0  0  0  0
   16.3023   10.1621   -2.5125 C   0  0  0  0  0
   15.4438   11.2731   -3.1148 C   0  0  0  0  0
   15.9822   11.7091   -4.4732 C   0  0  0  0  0
   15.2054   12.8911   -5.0056 C   0  0  0  0  0
   14.2829   12.7448   -5.8080 O   0  0  0  0  0
   15.5065   14.1413   -4.5574 N   0  0  0  0  0
   16.6141   14.5662   -3.7357 C   0  0  0  0  0
   17.7384   14.9412   -4.6458 C   0  0  0  0  0
   18.0896   16.2000   -4.9403 C   0  0  0  0  0
   16.0515   -0.4122   -4.7699 H   0  0  0  0  0
   16.1905    1.0391   -5.7768 H   0  0  0  0  0
   15.1496   -0.3032   -6.2915 H   0  0  0  0  0
   14.7107    1.4206   -3.7964 H   0  0  0  0  0
   13.6732    0.0881   -4.3084 H   0  0  0  0  0
   13.1552    1.3089   -6.4389 H   0  0  0  0  0
   14.2008    2.6369   -5.9298 H   0  0  0  0  0
   12.7529    2.9752   -3.8990 H   0  0  0  0  0
   11.6914    1.6790   -4.4503 H   0  0  0  0  0
   11.1855    2.9701   -6.5413 H   0  0  0  0  0
   12.2904    4.2411   -6.0334 H   0  0  0  0  0
    9.6027    3.4830   -4.7069 H   0  0  0  0  0
   11.4190    5.9567   -4.5671 H   0  0  0  0  0
    8.4989    5.4476   -3.6853 H   0  0  0  0  0
    9.2507    7.0000   -4.0061 H   0  0  0  0  0
    9.7175    5.1565   -1.5761 H   0  0  0  0  0
   10.4484    8.0872   -2.1330 H   0  0  0  0  0
   10.2865    6.4274    0.4671 H   0  0  0  0  0
   10.3544    8.1745    0.3229 H   0  0  0  0  0
   12.6632    6.1736   -0.1572 H   0  0  0  0  0
   12.5976    9.1963    0.3828 H   0  0  0  0  0
   14.8553    7.0982    0.5254 H   0  0  0  0  0
   14.8826    8.7392    1.1467 H   0  0  0  0  0
   14.9995    7.8770   -1.8239 H   0  0  0  0  0
   15.8703   10.4301   -0.3547 H   0  0  0  0  0
   16.3502    9.3131   -3.2055 H   0  0  0  0  0
   17.3313   10.5136   -2.3723 H   0  0  0  0  0
   15.3987   12.1251   -2.4257 H   0  0  0  0  0
   14.4090   10.9249   -3.2342 H   0  0  0  0  0
   15.8910   10.8910   -5.1980 H   0  0  0  0  0
   17.0474   11.9549   -4.4234 H   0  0  0  0  0
   14.9587   14.8648   -5.0062 H   0  0  0  0  0
   16.9295   13.7782   -3.0481 H   0  0  0  0  0
   16.2713   15.4195   -3.1414 H   0  0  0  0  0
   18.3092   14.1234   -5.0803 H   0  0  0  0  0
   17.5527   17.0534   -4.5380 H   0  0  0  0  0
   18.9212   16.4007   -5.6093 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  4  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
  4 34  1  0  0  0
  5  6  1  0  0  0
  5 35  1  0  0  0
  5 36  1  0  0  0
  6  7  2  0  0  0
  6 37  1  0  0  0
  7  8  1  0  0  0
  7 38  1  0  0  0
  8  9  1  0  0  0
  8 39  1  0  0  0
  8 40  1  0  0  0
  9 10  2  0  0  0
  9 41  1  0  0  0
 10 11  1  0  0  0
 10 42  1  0  0  0
 11 12  1  0  0  0
 11 43  1  0  0  0
 11 44  1  0  0  0
 12 13  2  0  0  0
 12 45  1  0  0  0
 13 14  1  0  0  0
 13 46  1  0  0  0
 14 15  1  0  0  0
 14 47  1  0  0  0
 14 48  1  0  0  0
 15 16  2  0  0  0
 15 49  1  0  0  0
 16 17  1  0  0  0
 16 50  1  0  0  0
 17 18  1  0  0  0
 17 51  1  0  0  0
 17 52  1  0  0  0
 18 19  1  0  0  0
 18 53  1  0  0  0
 18 54  1  0  0  0
 19 20  1  0  0  0
 19 55  1  0  0  0
 19 56  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 23  1  0  0  0
 22 57  1  0  0  0
 23 24  1  0  0  0
 23 58  1  0  0  0
 23 59  1  0  0  0
 24 25  2  0  0  0
 24 60  1  0  0  0
 25 61  1  0  0  0
 25 62  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL274016

>  <PubChem CID>
10569413

>  <Formula>
C23H37NO

>  <Molecular Weight>
343.555000

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

>  <XlogP>
6.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCC=C

>  <Isomeric SMILES>
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCC=C

>  <InChI Std. ID>
InChI=1S/C23H37NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(25)24-22-4-2/h4,8-9,11-12,14-15,17-18H,2-3,5-7,10,13,16,19-22H2,1H3,(H,24,25)/b9-8-,12-11-,15-14-,18-17-

>  <InChI Key>
AWKMZCWRZDFTOY-GKFVBPDJSA-N

