
 CHEMBL516663

 69 69  0  0  0  0  0  0  0  0999 V2000
    2.6326    5.9083    3.5617 C   0  0  0  0  0
    3.5371    6.6498    2.5835 C   0  0  0  0  0
    2.7747    7.0301    1.3057 C   0  0  0  0  0
    3.6596    7.6541    0.3773 O   0  0  0  0  0
    4.0933    7.8544    3.2111 N   0  0  0  0  0
    5.1955    7.9493    4.0131 C   0  0  0  0  0
    5.3873    8.9878    4.6427 O   0  0  0  0  0
    6.1706    6.7945    4.0599 C   0  0  0  0  0
    7.0391    6.7593    2.8058 C   0  0  0  0  0
    7.7501    5.4145    2.6590 C   0  0  0  0  0
    8.5439    5.3764    1.3865 C   0  0  0  0  0
    9.8837    5.4374    1.3471 C   0  0  0  0  0
   10.6934    5.4673    0.0847 C   0  0  0  0  0
   11.1997    6.8562   -0.1730 C   0  0  0  0  0
   12.4555    7.2594    0.0751 C   0  0  0  0  0
   12.9486    8.6611   -0.1304 C   0  0  0  0  0
   13.1493    9.3503    1.1877 C   0  0  0  0  0
   14.3478    9.5678    1.7516 C   0  0  0  0  0
   14.5508   10.2299    3.0824 C   0  0  0  0  0
   14.8580    9.2110    4.1400 C   0  0  0  0  0
   16.0719    9.0091    4.6781 C   0  0  0  0  0
   16.3469    7.9662    5.7234 C   0  0  0  0  0
   17.0854    6.7693    5.1221 C   0  0  0  0  0
   17.3186    5.6772    6.1673 C   0  0  0  0  0
   17.9963    4.4540    5.5487 C   0  0  0  0  0
   18.1926    3.3797    6.5543 C   0  0  0  0  0
   17.4255    2.3067    6.9569 C   0  0  0  0  0
   18.1657    1.6457    7.9663 C   0  0  0  0  0
   19.3336    2.3563    8.1124 C   0  0  0  0  0
   19.3585    3.4120    7.2591 O   0  0  0  0  0
    3.1796    5.6259    4.4674 H   0  0  0  0  0
    2.2364    4.9936    3.1086 H   0  0  0  0  0
    1.7870    6.5327    3.8701 H   0  0  0  0  0
    4.3679    5.9951    2.3041 H   0  0  0  0  0
    1.9587    7.7287    1.5185 H   0  0  0  0  0
    2.3537    6.1427    0.8229 H   0  0  0  0  0
    4.1772    8.3102    0.8809 H   0  0  0  0  0
    3.4824    8.6581    3.3158 H   0  0  0  0  0
    5.6168    5.8603    4.1958 H   0  0  0  0  0
    6.7990    6.9087    4.9513 H   0  0  0  0  0
    7.7778    7.5701    2.8613 H   0  0  0  0  0
    6.4403    6.9615    1.9094 H   0  0  0  0  0
    7.0172    4.5992    2.6339 H   0  0  0  0  0
    8.3932    5.2366    3.5294 H   0  0  0  0  0
    7.9780    5.3286    0.4579 H   0  0  0  0  0
   10.4481    5.5071    2.2753 H   0  0  0  0  0
   10.0994    5.1404   -0.7771 H   0  0  0  0  0
   11.5208    4.7538    0.1773 H   0  0  0  0  0
   10.4692    7.5686   -0.5529 H   0  0  0  0  0
   13.1781    6.5524    0.4789 H   0  0  0  0  0
   12.2408    9.2470   -0.7290 H   0  0  0  0  0
   13.8824    8.6256   -0.7038 H   0  0  0  0  0
   12.2449    9.6635    1.7070 H   0  0  0  0  0
   15.2512    9.2322    1.2439 H   0  0  0  0  0
   13.6579   10.7910    3.3832 H   0  0  0  0  0
   15.3598   10.9645    2.9927 H   0  0  0  0  0
   14.0184    8.5977    4.4629 H   0  0  0  0  0
   16.9174    9.6085    4.3497 H   0  0  0  0  0
   15.4101    7.6299    6.1847 H   0  0  0  0  0
   16.9459    8.4179    6.5230 H   0  0  0  0  0
   18.0481    7.0939    4.7075 H   0  0  0  0  0
   16.5012    6.3563    4.2896 H   0  0  0  0  0
   16.3589    5.3830    6.6114 H   0  0  0  0  0
   17.9356    6.0740    6.9836 H   0  0  0  0  0
   18.9644    4.7389    5.1195 H   0  0  0  0  0
   17.3855    4.0672    4.7238 H   0  0  0  0  0
   16.4526    2.0379    6.5699 H   0  0  0  0  0
   17.8843    0.7610    8.5196 H   0  0  0  0  0
   20.2030    2.2482    8.7457 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  5  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  4 37  1  0  0  0
  5  6  1  0  0  0
  5 38  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8 39  1  0  0  0
  8 40  1  0  0  0
  9 10  1  0  0  0
  9 41  1  0  0  0
  9 42  1  0  0  0
 10 11  1  0  0  0
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 11 12  2  0  0  0
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 12 13  1  0  0  0
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 15 16  1  0  0  0
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 18 19  1  0  0  0
 18 54  1  0  0  0
 19 20  1  0  0  0
 19 55  1  0  0  0
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 20 21  2  0  0  0
 20 57  1  0  0  0
 21 22  1  0  0  0
 21 58  1  0  0  0
 22 23  1  0  0  0
 22 59  1  0  0  0
 22 60  1  0  0  0
 23 24  1  0  0  0
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 24 25  1  0  0  0
 24 63  1  0  0  0
 24 64  1  0  0  0
 25 26  1  0  0  0
 25 65  1  0  0  0
 25 66  1  0  0  0
 26 27  2  0  0  0
 26 30  1  0  0  0
 27 28  1  0  0  0
 27 67  1  0  0  0
 28 29  2  0  0  0
 28 68  1  0  0  0
 29 30  1  0  0  0
 29 69  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL516663

>  <PubChem CID>
44563288

>  <Formula>
C26H39NO3

>  <Molecular Weight>
413.602000

>  <IUPAC Name>
(5Z,8Z,11Z,14Z)-19-(furan-2-yl)-N-[(2R)-1-hydroxypropan-2-yl]nonadeca-5,8,11,14-tetraenamide

>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(CO)NC(=O)CCCC=CCC=CCC=CCC=CCCCCC1=CC=CO1

>  <Isomeric SMILES>
C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC1=CC=CO1

>  <InChI Std. ID>
InChI=1S/C26H39NO3/c1-24(23-28)27-26(29)21-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-19-25-20-18-22-30-25/h2,4-5,7-8,10-11,13,18,20,22,24,28H,3,6,9,12,14-17,19,21,23H2,1H3,(H,27,29)/b4-2-,7-5-,10-8-,13-11-/t24-/m1/s1

>  <InChI Key>
BWDVKBYRMLPLCI-OJZQPWLLSA-N

