
 CHEMBL39460

 65 65  0  0  0  0  0  0  0  0999 V2000
   16.0455   -0.3465   -4.0630 C   0  0  0  0  0
   14.8038    0.2951   -3.4653 C   0  0  0  0  0
   14.0092    1.0686   -4.5176 C   0  0  0  0  0
   12.7665    1.7171   -3.9055 C   0  0  0  0  0
   11.9815    2.5166   -4.9470 C   0  0  0  0  0
   10.7752    3.1632   -4.3281 C   0  0  0  0  0
   10.7023    4.4740   -4.0470 C   0  0  0  0  0
    9.5277    5.1444   -3.3965 C   0  0  0  0  0
    9.8267    5.4471   -1.9573 C   0  0  0  0  0
   10.1900    6.6564   -1.5000 C   0  0  0  0  0
   10.5558    6.9444   -0.0730 C   0  0  0  0  0
   12.0474    6.9646    0.0867 C   0  0  0  0  0
   12.7851    8.0829    0.1775 C   0  0  0  0  0
   14.2843    8.0925    0.2394 C   0  0  0  0  0
   14.8534    8.3658   -1.1220 C   0  0  0  0  0
   15.4477    9.5126   -1.4853 C   0  0  0  0  0
   15.9557    9.7756   -2.8734 C   0  0  0  0  0
   15.1277   10.8645   -3.5563 C   0  0  0  0  0
   15.6519   11.1570   -4.9590 C   0  0  0  0  0
   15.0273   12.4120   -5.5287 C   0  0  0  0  0
   14.0838   12.3618   -6.3167 O   0  0  0  0  0
   15.4877   13.6295   -5.1216 N   0  0  0  0  0
   16.6663   13.9242   -4.3331 C   0  0  0  0  0
   17.8255   14.1174   -5.2365 C   0  0  0  0  0
   18.3412   15.2116   -5.9004 C   0  0  0  0  0
   19.4752   14.7493   -6.6113 C   0  0  0  0  0
   19.5804   13.4067   -6.3352 C   0  0  0  0  0
   18.5883   13.0158   -5.4959 O   0  0  0  0  0
   16.5952   -0.8970   -3.2931 H   0  0  0  0  0
   16.7153    0.4111   -4.4822 H   0  0  0  0  0
   15.7796   -1.0493   -4.8590 H   0  0  0  0  0
   15.1036    0.9699   -2.6549 H   0  0  0  0  0
   14.1736   -0.4844   -3.0216 H   0  0  0  0  0
   13.7098    0.3908   -5.3262 H   0  0  0  0  0
   14.6467    1.8422   -4.9629 H   0  0  0  0  0
   13.0700    2.3798   -3.0846 H   0  0  0  0  0
   12.1243    0.9416   -3.4693 H   0  0  0  0  0
   11.6496    1.8582   -5.7586 H   0  0  0  0  0
   12.6329    3.2729   -5.4021 H   0  0  0  0  0
    9.9396    2.5099   -4.0862 H   0  0  0  0  0
   11.5491    5.1197   -4.2738 H   0  0  0  0  0
    8.6320    4.5143   -3.4479 H   0  0  0  0  0
    9.2921    6.0602   -3.9519 H   0  0  0  0  0
    9.7753    4.6049   -1.2704 H   0  0  0  0  0
   10.2751    7.4912   -2.1934 H   0  0  0  0  0
   10.1365    6.1901    0.6032 H   0  0  0  0  0
   10.1115    7.9027    0.2208 H   0  0  0  0  0
   12.5412    5.9946    0.0745 H   0  0  0  0  0
   12.2979    9.0554    0.1522 H   0  0  0  0  0
   14.6708    7.1312    0.5985 H   0  0  0  0  0
   14.6062    8.8467    0.9672 H   0  0  0  0  0
   14.7330    7.5678   -1.8531 H   0  0  0  0  0
   15.5581   10.3168   -0.7609 H   0  0  0  0  0
   15.9345    8.8608   -3.4782 H   0  0  0  0  0
   17.0048   10.0872   -2.8052 H   0  0  0  0  0
   15.1309   11.7727   -2.9417 H   0  0  0  0  0
   14.0775   10.5512   -3.6251 H   0  0  0  0  0
   15.4172   10.3223   -5.6305 H   0  0  0  0  0
   16.7410   11.2530   -4.9665 H   0  0  0  0  0
   15.0383   14.3991   -5.6003 H   0  0  0  0  0
   16.8649   13.1286   -3.6112 H   0  0  0  0  0
   16.4611   14.8434   -3.7751 H   0  0  0  0  0
   17.9458   16.2176   -5.8765 H   0  0  0  0  0
   20.1341   15.3214   -7.2490 H   0  0  0  0  0
   20.2677   12.6298   -6.6402 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  2 33  1  0  0  0
  3  4  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  4  5  1  0  0  0
  4 36  1  0  0  0
  4 37  1  0  0  0
  5  6  1  0  0  0
  5 38  1  0  0  0
  5 39  1  0  0  0
  6  7  2  0  0  0
  6 40  1  0  0  0
  7  8  1  0  0  0
  7 41  1  0  0  0
  8  9  1  0  0  0
  8 42  1  0  0  0
  8 43  1  0  0  0
  9 10  2  0  0  0
  9 44  1  0  0  0
 10 11  1  0  0  0
 10 45  1  0  0  0
 11 12  1  0  0  0
 11 46  1  0  0  0
 11 47  1  0  0  0
 12 13  2  0  0  0
 12 48  1  0  0  0
 13 14  1  0  0  0
 13 49  1  0  0  0
 14 15  1  0  0  0
 14 50  1  0  0  0
 14 51  1  0  0  0
 15 16  2  0  0  0
 15 52  1  0  0  0
 16 17  1  0  0  0
 16 53  1  0  0  0
 17 18  1  0  0  0
 17 54  1  0  0  0
 17 55  1  0  0  0
 18 19  1  0  0  0
 18 56  1  0  0  0
 18 57  1  0  0  0
 19 20  1  0  0  0
 19 58  1  0  0  0
 19 59  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 23  1  0  0  0
 22 60  1  0  0  0
 23 24  1  0  0  0
 23 61  1  0  0  0
 23 62  1  0  0  0
 24 25  2  0  0  0
 24 28  1  0  0  0
 25 26  1  0  0  0
 25 63  1  0  0  0
 26 27  2  0  0  0
 26 64  1  0  0  0
 27 28  1  0  0  0
 27 65  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL39460

>  <PubChem CID>
9821406

>  <Formula>
C25H37NO2

>  <Molecular Weight>
383.576000

>  <IUPAC Name>
(5Z,8Z,11Z,14Z)-N-(furan-2-ylmethyl)icosa-5,8,11,14-tetraenamide

>  <XlogP>
6.600

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCC1=CC=CO1

>  <Isomeric SMILES>
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCC1=CC=CO1

>  <InChI Std. ID>
InChI=1S/C25H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25(27)26-23-24-20-19-22-28-24/h6-7,9-10,12-13,15-16,19-20,22H,2-5,8,11,14,17-18,21,23H2,1H3,(H,26,27)/b7-6-,10-9-,13-12-,16-15-

>  <InChI Key>
APIGNIKRTNRBHU-DOFZRALJSA-N

