
 CHEMBL462608

 66 66  0  0  0  0  0  0  0  0999 V2000
    3.4804    5.4376    4.9052 C   0  0  0  0  0
    4.2068    6.2653    3.8508 C   0  0  0  0  0
    3.2386    6.7440    2.7591 C   0  0  0  0  0
    3.9544    7.4502    1.7476 O   0  0  0  0  0
    4.8704    7.4180    4.4726 N   0  0  0  0  0
    6.1014    7.4582    5.0656 C   0  0  0  0  0
    6.4061    8.4358    5.7451 O   0  0  0  0  0
    7.0672    6.3191    4.8221 C   0  0  0  0  0
    7.6784    6.4088    3.4262 C   0  0  0  0  0
    8.3348    5.0907    3.0172 C   0  0  0  0  0
    8.8617    5.1825    1.6153 C   0  0  0  0  0
   10.1672    5.2794    1.3216 C   0  0  0  0  0
   10.7162    5.4487   -0.0643 C   0  0  0  0  0
   11.1349    6.8728   -0.2838 C   0  0  0  0  0
   12.3871    7.3231   -0.1033 C   0  0  0  0  0
   12.7998    8.7576   -0.2496 C   0  0  0  0  0
   12.9564    9.4033    1.0963 C   0  0  0  0  0
   14.1331    9.5763    1.7206 C   0  0  0  0  0
   14.2844   10.2003    3.0767 C   0  0  0  0  0
   14.4315    9.1497    4.1377 C   0  0  0  0  0
   15.5826    8.8431    4.7571 C   0  0  0  0  0
   15.6928    7.7902    5.8249 C   0  0  0  0  0
   16.3717    6.5234    5.2972 C   0  0  0  0  0
   16.4838    5.4651    6.3674 C   0  0  0  0  0
   15.4144    4.5946    6.6191 C   0  0  0  0  0
   15.5086    3.6306    7.6239 C   0  0  0  0  0
   16.6700    3.5298    8.3875 C   0  0  0  0  0
   17.7372    4.3937    8.1482 C   0  0  0  0  0
   17.6446    5.3592    7.1444 C   0  0  0  0  0
    4.1746    5.0859    5.6757 H   0  0  0  0  0
    3.0059    4.5607    4.4530 H   0  0  0  0  0
    2.7050    6.0274    5.4059 H   0  0  0  0  0
    4.9720    5.6423    3.3787 H   0  0  0  0  0
    2.4752    7.4155    3.1659 H   0  0  0  0  0
    2.7359    5.8960    2.2834 H   0  0  0  0  0
    4.5533    8.0678    2.2079 H   0  0  0  0  0
    4.2893    8.1985    4.7609 H   0  0  0  0  0
    6.5489    5.3674    4.9778 H   0  0  0  0  0
    7.8557    6.3652    5.5832 H   0  0  0  0  0
    8.4224    7.2169    3.4158 H   0  0  0  0  0
    6.9214    6.6909    2.6846 H   0  0  0  0  0
    7.6046    4.2738    3.0598 H   0  0  0  0  0
    9.1352    4.8383    3.7231 H   0  0  0  0  0
    8.1246    5.2068    0.8149 H   0  0  0  0  0
   10.9014    5.2797    2.1253 H   0  0  0  0  0
    9.9746    5.1743   -0.8239 H   0  0  0  0  0
   11.5617    4.7637   -0.1989 H   0  0  0  0  0
   10.3453    7.5687   -0.5602 H   0  0  0  0  0
   13.1673    6.6308    0.2076 H   0  0  0  0  0
   12.0621    9.3252   -0.8295 H   0  0  0  0  0
   13.7359    8.8009   -0.8189 H   0  0  0  0  0
   12.0364    9.7192    1.5849 H   0  0  0  0  0
   15.0499    9.2340    1.2454 H   0  0  0  0  0
   13.4167   10.8257    3.3197 H   0  0  0  0  0
   15.1505   10.8726    3.0617 H   0  0  0  0  0
   13.5209    8.6136    4.4005 H   0  0  0  0  0
   16.4978    9.3682    4.4916 H   0  0  0  0  0
   14.6999    7.5459    6.2238 H   0  0  0  0  0
   16.2640    8.2060    6.6645 H   0  0  0  0  0
   17.3709    6.7588    4.9079 H   0  0  0  0  0
   15.8090    6.1148    4.4471 H   0  0  0  0  0
   14.5003    4.6652    6.0337 H   0  0  0  0  0
   14.6747    2.9596    7.8121 H   0  0  0  0  0
   16.7427    2.7796    9.1703 H   0  0  0  0  0
   18.6422    4.3171    8.7451 H   0  0  0  0  0
   18.4838    6.0292    6.9728 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  5  1  0  0  0
  2  3  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 36  1  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8 38  1  0  0  0
  8 39  1  0  0  0
  9 10  1  0  0  0
  9 40  1  0  0  0
  9 41  1  0  0  0
 10 11  1  0  0  0
 10 42  1  0  0  0
 10 43  1  0  0  0
 11 12  2  0  0  0
 11 44  1  0  0  0
 12 13  1  0  0  0
 12 45  1  0  0  0
 13 14  1  0  0  0
 13 46  1  0  0  0
 13 47  1  0  0  0
 14 15  2  0  0  0
 14 48  1  0  0  0
 15 16  1  0  0  0
 15 49  1  0  0  0
 16 17  1  0  0  0
 16 50  1  0  0  0
 16 51  1  0  0  0
 17 18  2  0  0  0
 17 52  1  0  0  0
 18 19  1  0  0  0
 18 53  1  0  0  0
 19 20  1  0  0  0
 19 54  1  0  0  0
 19 55  1  0  0  0
 20 21  2  0  0  0
 20 56  1  0  0  0
 21 22  1  0  0  0
 21 57  1  0  0  0
 22 23  1  0  0  0
 22 58  1  0  0  0
 22 59  1  0  0  0
 23 24  1  0  0  0
 23 60  1  0  0  0
 23 61  1  0  0  0
 24 25  2  0  0  0
 24 29  1  0  0  0
 25 26  1  0  0  0
 25 62  1  0  0  0
 26 27  2  0  0  0
 26 63  1  0  0  0
 27 28  1  0  0  0
 27 64  1  0  0  0
 28 29  2  0  0  0
 28 65  1  0  0  0
 29 66  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL462608

>  <PubChem CID>
44563659

>  <Formula>
C26H37NO2

>  <Molecular Weight>
395.587000

>  <IUPAC Name>
(5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-17-phenylheptadeca-5,8,11,14-tetraenamide

>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(CO)NC(=O)CCCC=CCC=CCC=CCC=CCCC1=CC=CC=C1

>  <Isomeric SMILES>
C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCC1=CC=CC=C1

>  <InChI Std. ID>
InChI=1S/C26H37NO2/c1-24(23-28)27-26(29)22-18-13-11-9-7-5-3-2-4-6-8-10-12-15-19-25-20-16-14-17-21-25/h3-6,9-12,14,16-17,20-21,24,28H,2,7-8,13,15,18-19,22-23H2,1H3,(H,27,29)/b5-3-,6-4-,11-9-,12-10-/t24-/m1/s1

>  <InChI Key>
CUSGYEPXHCHJLA-ADWDLVTFSA-N

