
 CHEMBL165171

 63 65  0  0  0  0  0  0  0  0999 V2000
    3.0789   -1.9258   -1.1551 C   0  0  0  0  0
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    8.1588    5.9161   -8.4127 C   0  0  0  0  0
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    7.6419    4.8484   -6.3074 C   0  0  0  0  0
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    6.6725   10.6937    0.0821 C   0  0  0  0  0
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    7.9515   11.7594    1.8327 C   0  0  0  0  0
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    4.7017    5.2529   -0.1103 C   0  0  0  0  0
    5.0042    3.8607    0.4650 C   0  0  0  0  0
    2.8707   -2.8979   -0.6982 H   0  0  0  0  0
    3.7188   -2.0925   -2.0285 H   0  0  0  0  0
    2.1309   -1.5035   -1.5043 H   0  0  0  0  0
    4.6613   -1.4915    0.2139 H   0  0  0  0  0
    3.0942   -0.8483    0.7084 H   0  0  0  0  0
    3.1215    0.7595   -1.1611 H   0  0  0  0  0
    4.6969    0.1775   -1.6987 H   0  0  0  0  0
    6.8095    1.3999   -0.4184 H   0  0  0  0  0
    6.2706   -0.1121    0.2335 H   0  0  0  0  0
    6.0109    0.8143    2.4960 H   0  0  0  0  0
    6.5778    2.3837    1.9568 H   0  0  0  0  0
    8.1843   -0.2004    1.8451 H   0  0  0  0  0
    8.4524    1.1900    2.9117 H   0  0  0  0  0
    8.7278    1.3482    1.1694 H   0  0  0  0  0
    3.4452    2.8507   -0.5402 H   0  0  0  0  0
    4.6839    2.1880   -2.5896 H   0  0  0  0  0
    6.1939    2.7736   -1.8982 H   0  0  0  0  0
    5.1806    4.3794   -3.4396 H   0  0  0  0  0
    3.7043    4.4321   -2.5139 H   0  0  0  0  0
    7.6544    8.2395   -5.9815 H   0  0  0  0  0
    8.2116    8.0707   -8.3882 H   0  0  0  0  0
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    8.0331    3.7817   -8.1397 H   0  0  0  0  0
    7.4762    3.9406   -5.7329 H   0  0  0  0  0
    5.9261   10.7592   -0.7059 H   0  0  0  0  0
    6.5015   12.7776    0.6052 H   0  0  0  0  0
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    8.7613    8.4650    1.5899 H   0  0  0  0  0
    5.0702    6.0146    0.5838 H   0  0  0  0  0
    3.6175    5.4004   -0.1935 H   0  0  0  0  0
    6.0879    3.8090    0.6082 H   0  0  0  0  0
    4.5248    3.7659    1.4463 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
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  3  4  1  0  0  0
  3 36  1  0  0  0
  3 37  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
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  5 39  1  0  0  0
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  6 40  1  0  0  0
  6 41  1  0  0  0
  7 42  1  0  0  0
  7 43  1  0  0  0
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  8 30  1  0  0  0
  8  9  1  0  0  0
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 30 63  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL165171

>  <PubChem CID>
10524751

>  <Formula>
C29H33N

>  <Molecular Weight>
395.590000

>  <IUPAC Name>
4-(1,5-diphenylpenta-1,4-diyn-3-ylidene)-N,N-dipropylcyclohexan-1-amine

>  <XlogP>
7.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CCCN(CCC)C1CCC(=C(C#CC2=CC=CC=C2)C#CC3=CC=CC=C3)CC1

>  <Isomeric SMILES>
CCCN(CCC)C1CCC(=C(C#CC2=CC=CC=C2)C#CC3=CC=CC=C3)CC1

>  <InChI Std. ID>
InChI=1S/C29H33N/c1-3-23-30(24-4-2)29-21-19-28(20-22-29)27(17-15-25-11-7-5-8-12-25)18-16-26-13-9-6-10-14-26/h5-14,29H,3-4,19-24H2,1-2H3

>  <InChI Key>
DVRQBYGOXHPKHC-UHFFFAOYSA-N

