
 CHEMBL151717

 67 66  0  0  0  0  0  0  0  0999 V2000
   16.3084    0.1141   -4.6663 C   0  0  0  0  0
   15.0405    0.6502   -4.0215 C   0  0  0  0  0
   14.1933    1.4387   -5.0200 C   0  0  0  0  0
   12.9300    1.9908   -4.3582 C   0  0  0  0  0
   12.0928    2.8048   -5.3458 C   0  0  0  0  0
   10.8803    3.3819   -4.6728 C   0  0  0  0  0
   10.7756    4.6758   -4.3306 C   0  0  0  0  0
    9.5944    5.2857   -3.6365 C   0  0  0  0  0
    9.9147    5.5811   -2.2004 C   0  0  0  0  0
   10.3029    6.7848   -1.7477 C   0  0  0  0  0
   10.6427    7.0821   -0.3172 C   0  0  0  0  0
   12.1280    7.1399   -0.1152 C   0  0  0  0  0
   12.8332    8.2754    0.0232 C   0  0  0  0  0
   14.3187    8.3205    0.2262 C   0  0  0  0  0
   15.0279    8.6833   -1.0447 C   0  0  0  0  0
   15.6974    9.8290   -1.2506 C   0  0  0  0  0
   16.4182   10.1398   -2.5304 C   0  0  0  0  0
   15.7161   11.2466   -3.3181 C   0  0  0  0  0
   16.4070   11.4785   -4.6619 C   0  0  0  0  0
   15.7029   12.5603   -5.4751 C   0  0  0  0  0
   16.2448   12.6438   -6.8180 N   0  0  0  0  0
   15.8995   11.8933   -7.9103 C   0  0  0  0  0
   16.5836   11.9776   -8.9311 O   0  0  0  0  0
   14.6823   10.9799   -7.8284 C   0  0  0  0  0
   13.5022   11.7880   -7.8072 O   0  0  0  0  0
   12.5174   11.3773   -6.9685 C   0  0  0  0  0
   12.5424   10.3659   -6.2815 O   0  0  0  0  0
   11.3728   12.3438   -7.0051 C   0  0  0  0  0
   16.8940   -0.4528   -3.9360 H   0  0  0  0  0
   16.9328    0.9312   -5.0414 H   0  0  0  0  0
   16.0723   -0.5508   -5.5031 H   0  0  0  0  0
   15.3125    1.2918   -3.1751 H   0  0  0  0  0
   14.4584   -0.1872   -3.6196 H   0  0  0  0  0
   13.9159    0.7919   -5.8611 H   0  0  0  0  0
   14.7855    2.2662   -5.4297 H   0  0  0  0  0
   13.2136    2.6227   -3.5065 H   0  0  0  0  0
   12.3322    1.1628   -3.9569 H   0  0  0  0  0
   11.7651    2.1703   -6.1779 H   0  0  0  0  0
   12.7057    3.6031   -5.7824 H   0  0  0  0  0
   10.0692    2.6929   -4.4476 H   0  0  0  0  0
   11.5988    5.3557   -4.5450 H   0  0  0  0  0
    8.7233    4.6207   -3.6752 H   0  0  0  0  0
    9.3051    6.1997   -4.1691 H   0  0  0  0  0
    9.8405    4.7432   -1.5106 H   0  0  0  0  0
   10.4046    7.6139   -2.4456 H   0  0  0  0  0
   10.2269    6.3195    0.3526 H   0  0  0  0  0
   10.1686    8.0290   -0.0322 H   0  0  0  0  0
   12.6436    6.1817   -0.0944 H   0  0  0  0  0
   12.3235    9.2350   -0.0199 H   0  0  0  0  0
   14.6956    7.3494    0.5699 H   0  0  0  0  0
   14.5442    9.0369    1.0255 H   0  0  0  0  0
   14.9835    7.9379   -1.8377 H   0  0  0  0  0
   15.7429   10.5797   -0.4647 H   0  0  0  0  0
   16.4980    9.2390   -3.1517 H   0  0  0  0  0
   17.4435   10.4452   -2.2897 H   0  0  0  0  0
   15.7109   12.1768   -2.7365 H   0  0  0  0  0
   14.6681   10.9697   -3.4916 H   0  0  0  0  0
   16.4272   10.5385   -5.2264 H   0  0  0  0  0
   17.4534   11.7665   -4.5018 H   0  0  0  0  0
   15.8454   13.5406   -5.0082 H   0  0  0  0  0
   14.6294   12.3698   -5.5246 H   0  0  0  0  0
   17.0789   13.2003   -6.9650 H   0  0  0  0  0
   14.7854   10.3218   -6.9598 H   0  0  0  0  0
   14.6548   10.3564   -8.7284 H   0  0  0  0  0
   11.7448   13.3636   -7.1379 H   0  0  0  0  0
   10.8429   12.3080   -6.0495 H   0  0  0  0  0
   10.6945   12.0813   -7.8189 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 21  1  0  0  0
 20 60  1  0  0  0
 20 61  1  0  0  0
 21 22  1  0  0  0
 21 62  1  0  0  0
 22 24  1  0  0  0
 22 23  2  0  0  0
 24 25  1  0  0  0
 24 63  1  0  0  0
 24 64  1  0  0  0
 25 26  1  0  0  0
 26 28  1  0  0  0
 26 27  2  0  0  0
 28 65  1  0  0  0
 28 66  1  0  0  0
 28 67  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL151717

>  <PubChem CID>
10715387

>  <Formula>
C24H39NO3

>  <Molecular Weight>
389.580000

>  <IUPAC Name>
[2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]amino]-2-oxoethyl] acetate

>  <XlogP>
6.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCCCC=CCC=CCC=CCC=CCCCCNC(=O)COC(=O)C

>  <Isomeric SMILES>
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCNC(=O)COC(=O)C

>  <InChI Std. ID>
InChI=1S/C24H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-24(27)22-28-23(2)26/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-22H2,1-2H3,(H,25,27)/b8-7-,11-10-,14-13-,17-16-

>  <InChI Key>
DWXJVUKDOLXSRK-ZKWNWVNESA-N

