
 CHEMBL195275

 64 65  0  0  0  0  0  0  0  0999 V2000
   -0.2732    1.2878   -2.0922 C   0  0  0  0  0
    0.5195    0.7468   -3.1020 C   0  0  0  0  0
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    6.8186    2.4839   -0.7120 O   0  0  0  0  0
    6.4943    0.2259   -0.9057 N   0  0  0  0  0
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    7.5978   -2.2466   -1.3020 O   0  0  0  0  0
    9.8450   -1.3212   -1.4154 C   0  0  0  0  0
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   14.4223   -5.6673   -2.3854 C   0  0  0  0  0
   14.2690   -6.5630   -1.1721 C   0  0  0  0  0
   14.7719   -6.3076   -0.0804 O   0  0  0  0  0
   13.5490   -7.7120   -1.4227 N   0  0  0  0  0
   13.3160   -8.5993   -0.3680 N   0  0  0  0  0
   12.1759   -9.3756   -0.4033 C   0  0  0  0  0
   11.3963   -9.3696   -1.3565 O   0  0  0  0  0
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   12.6122   -9.8537    1.9807 O   0  0  0  0  0
   11.8172   -9.1080    2.8045 C   0  0  0  0  0
   12.4900   -8.1470    3.5636 C   0  0  0  0  0
   11.7949   -7.3422    4.4680 C   0  0  0  0  0
   10.4214   -7.5049    4.6288 C   0  0  0  0  0
    9.7486   -8.4776    3.8924 C   0  0  0  0  0
   10.4452   -9.2832    2.9860 C   0  0  0  0  0
   -1.3544    1.3157   -2.2023 H   0  0  0  0  0
    0.0578    0.3543   -4.0044 H   0  0  0  0  0
    2.5189    0.2837   -3.7459 H   0  0  0  0  0
    2.1346    2.1583    0.1236 H   0  0  0  0  0
   -0.2926    2.2175   -0.1513 H   0  0  0  0  0
    4.2438    1.1549    0.2810 H   0  0  0  0  0
    4.3130    2.7360   -0.5753 H   0  0  0  0  0
    5.8745   -0.5583   -1.1131 H   0  0  0  0  0
    8.4661    0.8394   -1.0122 H   0  0  0  0  0
   10.3040   -0.8624   -0.5320 H   0  0  0  0  0
   10.1128   -0.7202   -2.2922 H   0  0  0  0  0
    9.8674   -3.2210   -2.4438 H   0  0  0  0  0
   10.0972   -3.3422   -0.7027 H   0  0  0  0  0
   12.3760   -2.2985   -0.9390 H   0  0  0  0  0
   12.1396   -2.1986   -2.6856 H   0  0  0  0  0
   11.8944   -4.6878   -2.7987 H   0  0  0  0  0
   12.1166   -4.7893   -1.0509 H   0  0  0  0  0
   14.4044   -3.8146   -1.2668 H   0  0  0  0  0
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   15.4928   -5.6336   -2.6207 H   0  0  0  0  0
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   12.6014  -11.2386    0.4983 H   0  0  0  0  0
   10.9956  -10.6478    0.8672 H   0  0  0  0  0
   13.5639   -8.0192    3.4512 H   0  0  0  0  0
   12.3272   -6.5930    5.0481 H   0  0  0  0  0
    9.8773   -6.8823    5.3342 H   0  0  0  0  0
    8.6796   -8.6190    4.0311 H   0  0  0  0  0
    9.8861  -10.0542    2.4679 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
  2 36  1  0  0  0
  3  4  2  0  0  0
  3 37  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 38  1  0  0  0
  6 39  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 40  1  0  0  0
  8 41  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
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 12 13  1  0  0  0
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 27 28  1  0  0  0
 27 58  1  0  0  0
 27 59  1  0  0  0
 28 29  1  0  0  0
 29 30  2  0  0  0
 29 34  1  0  0  0
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 31 32  2  0  0  0
 31 61  1  0  0  0
 32 33  1  0  0  0
 32 62  1  0  0  0
 33 34  2  0  0  0
 33 63  1  0  0  0
 34 64  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL195275

>  <PubChem CID>
11420013

>  <Formula>
C24H30N4O6

>  <Molecular Weight>
470.526000

>  <IUPAC Name>
1-N',8-N'-bis(2-phenoxyacetyl)octanedihydrazide

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1=CC=C(C=C1)OCC(=O)NNC(=O)CCCCCCC(=O)NNC(=O)COC2=CC=CC=C2

>  <Isomeric SMILES>
C1=CC=C(C=C1)OCC(=O)NNC(=O)CCCCCCC(=O)NNC(=O)COC2=CC=CC=C2

>  <InChI Std. ID>
InChI=1S/C24H30N4O6/c29-21(25-27-23(31)17-33-19-11-5-3-6-12-19)15-9-1-2-10-16-22(30)26-28-24(32)18-34-20-13-7-4-8-14-20/h3-8,11-14H,1-2,9-10,15-18H2,(H,25,29)(H,26,30)(H,27,31)(H,28,32)

>  <InChI Key>
NARZHMQOGSVBOJ-UHFFFAOYSA-N

