
 CHEMBL423602

 70 69  0  0  0  0  0  0  0  0999 V2000
    6.9254    9.1048    4.7637 C   0  0  0  0  0
    7.0487   10.6205    4.7658 C   0  0  0  0  0
    6.9281   11.1908    3.3527 C   0  0  0  0  0
    7.0689   12.7171    3.3505 C   0  0  0  0  0
    6.9080   13.3307    1.9548 C   0  0  0  0  0
    8.0079   12.9203    1.0192 C   0  0  0  0  0
    7.8282   12.1515   -0.0676 C   0  0  0  0  0
    8.9543   11.6969   -0.9493 C   0  0  0  0  0
    9.3249   10.2701   -0.6623 C   0  0  0  0  0
   10.2309    9.9137    0.2653 C   0  0  0  0  0
   10.6096    8.4939    0.5662 C   0  0  0  0  0
   12.0463    8.3784    0.9888 C   0  0  0  0  0
   13.0765    8.1518    0.1560 C   0  0  0  0  0
   14.5016    8.0099    0.6127 C   0  0  0  0  0
   15.2268    9.3245    0.5790 C   0  0  0  0  0
   15.7116    9.9416    1.6705 C   0  0  0  0  0
   16.3784   11.2893    1.6362 C   0  0  0  0  0
   17.5729   11.3848    2.6002 C   0  0  0  0  0
   18.2913   12.7694    2.6374 C   0  0  0  0  0
   18.8760   13.0947    1.2505 C   0  0  0  0  0
   17.3045   13.8743    3.0615 C   0  0  0  0  0
   19.4364   12.7187    3.6821 C   0  0  0  0  0
   19.6742   11.7258    4.3665 O   0  0  0  0  0
   20.1537   13.8908    3.8122 N   0  0  0  0  0
   21.2666   14.0477    4.7398 C   0  0  0  0  0
   22.5245   13.3637    4.2112 C   0  0  0  0  0
   21.5306   15.5336    4.9802 C   0  0  0  0  0
    7.0155    8.7153    5.7825 H   0  0  0  0  0
    7.7123    8.6481    4.1547 H   0  0  0  0  0
    5.9559    8.7907    4.3640 H   0  0  0  0  0
    8.0156   10.9013    5.1994 H   0  0  0  0  0
    6.2684   11.0452    5.4079 H   0  0  0  0  0
    5.9570   10.9124    2.9257 H   0  0  0  0  0
    7.7012   10.7397    2.7199 H   0  0  0  0  0
    8.0436   12.9977    3.7696 H   0  0  0  0  0
    6.3057   13.1499    4.0090 H   0  0  0  0  0
    6.9270   14.4236    2.0427 H   0  0  0  0  0
    5.9252   13.0663    1.5467 H   0  0  0  0  0
    9.0117   13.2495    1.2814 H   0  0  0  0  0
    6.8321   11.7992   -0.3253 H   0  0  0  0  0
    9.8306   12.3463   -0.8301 H   0  0  0  0  0
    8.6532   11.7895   -1.9995 H   0  0  0  0  0
    8.8099    9.5060   -1.2398 H   0  0  0  0  0
   10.7091   10.6892    0.8611 H   0  0  0  0  0
   10.4154    7.8460   -0.2971 H   0  0  0  0  0
    9.9834    8.1248    1.3874 H   0  0  0  0  0
   12.2396    8.4926    2.0540 H   0  0  0  0  0
   12.8935    8.0610   -0.9124 H   0  0  0  0  0
   15.0150    7.2996   -0.0459 H   0  0  0  0  0
   14.5326    7.5706    1.6175 H   0  0  0  0  0
   15.3313    9.7937   -0.3971 H   0  0  0  0  0
   15.5822    9.4814    2.6484 H   0  0  0  0  0
   15.6195   12.0278    1.9136 H   0  0  0  0  0
   16.7013   11.5134    0.6141 H   0  0  0  0  0
   18.3040   10.6067    2.3389 H   0  0  0  0  0
   17.2256   11.1383    3.6137 H   0  0  0  0  0
   19.5247   12.2833    0.9015 H   0  0  0  0  0
   19.4788   14.0083    1.2513 H   0  0  0  0  0
   18.0885   13.2453    0.5052 H   0  0  0  0  0
   16.8682   13.6505    4.0419 H   0  0  0  0  0
   16.4874   13.9920    2.3433 H   0  0  0  0  0
   17.7898   14.8530    3.1410 H   0  0  0  0  0
   19.9837   14.6452    3.1615 H   0  0  0  0  0
   20.9805   13.5788    5.6884 H   0  0  0  0  0
   22.8185   13.7715    3.2377 H   0  0  0  0  0
   22.3650   12.2882    4.0830 H   0  0  0  0  0
   23.3612   13.4977    4.9051 H   0  0  0  0  0
   21.8079   16.0429    4.0498 H   0  0  0  0  0
   22.3408   15.6789    5.7020 H   0  0  0  0  0
   20.6348   16.0297    5.3698 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  2 32  1  0  0  0
  3  4  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  4  5  1  0  0  0
  4 35  1  0  0  0
  4 36  1  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  5 38  1  0  0  0
  6  7  2  0  0  0
  6 39  1  0  0  0
  7  8  1  0  0  0
  7 40  1  0  0  0
  8  9  1  0  0  0
  8 41  1  0  0  0
  8 42  1  0  0  0
  9 10  2  0  0  0
  9 43  1  0  0  0
 10 11  1  0  0  0
 10 44  1  0  0  0
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 16 17  1  0  0  0
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 17 18  1  0  0  0
 17 53  1  0  0  0
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 18 19  1  0  0  0
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 19 22  1  0  0  0
 19 21  1  0  0  0
 19 20  1  0  0  0
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 20 59  1  0  0  0
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 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
 25 27  1  0  0  0
 25 26  1  0  0  0
 25 64  1  0  0  0
 26 65  1  0  0  0
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 26 67  1  0  0  0
 27 68  1  0  0  0
 27 69  1  0  0  0
 27 70  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL423602

>  <PubChem CID>
5283419

>  <Formula>
C25H43NO

>  <Molecular Weight>
373.625000

>  <IUPAC Name>
(5Z,8Z,11Z,14Z)-2,2-dimethyl-N-propan-2-ylicosa-5,8,11,14-tetraenamide

>  <XlogP>
7.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CCCCCC=CCC=CCC=CCC=CCCC(C)(C)C(=O)NC(C)C

>  <Isomeric SMILES>
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCC(C)(C)C(=O)NC(C)C

>  <InChI Std. ID>
InChI=1S/C25H43NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(4,5)24(27)26-23(2)3/h10-11,13-14,16-17,19-20,23H,6-9,12,15,18,21-22H2,1-5H3,(H,26,27)/b11-10-,14-13-,17-16-,20-19-

>  <InChI Key>
APMHRGDNLGREMG-AILJCPQKSA-N

