
 CHEMBL51696

 55 57  0  0  0  0  0  0  0  0999 V2000
    1.3855   -1.1096    2.7879 C   0  0  0  0  0
    2.1028   -1.5907    1.6919 C   0  0  0  0  0
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    4.8786    1.9368    0.6913 C   0  0  0  0  0
    3.7109    2.4811    0.0231 C   0  0  0  0  0
    3.8431    3.5084   -0.8295 C   0  0  0  0  0
    2.7035    4.0693   -1.5873 C   0  0  0  0  0
    1.5738    3.5982   -1.5606 O   0  0  0  0  0
    3.0764    5.1690   -2.3243 N   0  0  0  0  0
    2.1527    5.8537   -3.2007 C   0  0  0  0  0
    2.7901    7.0732   -3.8653 C   0  0  0  0  0
    3.9049    6.7027   -4.8555 C   0  0  0  0  0
    4.5900    7.9268   -5.4775 C   0  0  0  0  0
    3.7083    8.6854   -6.4277 C   0  0  0  0  0
    3.5922    8.3051   -7.7623 C   0  0  0  0  0
    2.7920    8.9203   -8.6607 N   0  0  0  0  0
    2.0644    9.9641   -8.2095 C   0  0  0  0  0
    2.1067   10.4248   -6.9047 C   0  0  0  0  0
    2.9459    9.7772   -6.0045 C   0  0  0  0  0
    6.3294    0.4997    2.0143 C   0  0  0  0  0
    6.5200    0.0353    3.3238 C   0  0  0  0  0
    7.7971   -0.2949    3.7909 C   0  0  0  0  0
    8.9048   -0.1724    2.9554 C   0  0  0  0  0
    8.7346    0.2572    1.6440 C   0  0  0  0  0
    7.4576    0.5740    1.1743 C   0  0  0  0  0
    0.4753   -1.6132    3.1047 H   0  0  0  0  0
    1.7497   -2.4664    1.1545 H   0  0  0  0  0
    3.8237   -1.3270    0.4265 H   0  0  0  0  0
    3.3331    1.5527    3.5976 H   0  0  0  0  0
    1.2725    0.3946    4.3258 H   0  0  0  0  0
    5.7975    2.4719    0.4504 H   0  0  0  0  0
    2.7361    2.0307    0.1947 H   0  0  0  0  0
    4.8141    3.9481   -1.0159 H   0  0  0  0  0
    4.0268    5.5044   -2.2673 H   0  0  0  0  0
    1.2930    6.1659   -2.5971 H   0  0  0  0  0
    1.7910    5.1398   -3.9486 H   0  0  0  0  0
    3.1942    7.7425   -3.0955 H   0  0  0  0  0
    1.9991    7.6197   -4.3893 H   0  0  0  0  0
    3.4981    6.0555   -5.6421 H   0  0  0  0  0
    4.6752    6.1209   -4.3352 H   0  0  0  0  0
    5.4850    7.5956   -6.0199 H   0  0  0  0  0
    4.9557    8.5973   -4.6895 H   0  0  0  0  0
    4.1564    7.4658   -8.1602 H   0  0  0  0  0
    1.4227   10.4350   -8.9487 H   0  0  0  0  0
    1.4966   11.2656   -6.5954 H   0  0  0  0  0
    2.9909   10.1176   -4.9725 H   0  0  0  0  0
    5.6784   -0.0674    4.0041 H   0  0  0  0  0
    7.9246   -0.6458    4.8118 H   0  0  0  0  0
    9.8965   -0.4196    3.3232 H   0  0  0  0  0
    9.5925    0.3441    0.9821 H   0  0  0  0  0
    7.3580    0.8798    0.1357 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  3  4  2  0  0  0
  3 32  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 33  1  0  0  0
  6 34  1  0  0  0
  7 24  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 35  1  0  0  0
  9 10  2  0  0  0
  9 36  1  0  0  0
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 11 13  1  0  0  0
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 13 14  1  0  0  0
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 15 42  1  0  0  0
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 17 46  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
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 20 21  2  0  0  0
 21 22  1  0  0  0
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 26 27  2  0  0  0
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 29 55  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL51696

>  <PubChem CID>
14347364

>  <Formula>
C26H26N2O

>  <Molecular Weight>
382.507000

>  <IUPAC Name>
(2Z)-5,5-diphenyl-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1=CC=C(C=C1)C(=CC=CC(=O)NCCCCC2=CN=CC=C2)C3=CC=CC=C3

>  <Isomeric SMILES>
C1=CC=C(C=C1)C(=C/C=C\C(=O)NCCCCC2=CN=CC=C2)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C26H26N2O/c29-26(28-20-8-7-11-22-12-10-19-27-21-22)18-9-17-25(23-13-3-1-4-14-23)24-15-5-2-6-16-24/h1-6,9-10,12-19,21H,7-8,11,20H2,(H,28,29)/b18-9-

>  <InChI Key>
CTVPNMZQMXKFTB-NVMNQCDNSA-N

