
 CHEMBL3758368

 62 65  0  0  0  0  0  0  0  0999 V2000
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    5.7745    1.2621    4.6584 H   0  0  0  0  0
    7.5022    2.3383    3.7275 H   0  0  0  0  0
    8.4679    4.1927    2.4373 H   0  0  0  0  0
    8.1346    4.2764   -0.0204 H   0  0  0  0  0
    6.8983    2.5490   -1.1560 H   0  0  0  0  0
    4.6374   -0.6994    1.3037 H   0  0  0  0  0
    6.2938   -1.3478    1.1128 H   0  0  0  0  0
    4.7307   -2.9779    0.2855 H   0  0  0  0  0
    3.8331   -1.7871   -0.6177 H   0  0  0  0  0
    6.2073   -1.2416   -3.2412 H   0  0  0  0  0
    4.6787   -0.8074   -2.5517 H   0  0  0  0  0
    7.4402   -0.0906   -1.4645 H   0  0  0  0  0
    6.1755    0.9546   -2.1442 H   0  0  0  0  0
    6.7974   -3.8298   -0.5864 H   0  0  0  0  0
    7.5237   -2.2310   -0.5417 H   0  0  0  0  0
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   16.2411   -5.3573   -1.7185 H   0  0  0  0  0
   13.8011   -5.5496   -1.7324 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 33  1  0  0  0
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  5  6  2  0  0  0
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  6  7  1  0  0  0
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  7  8  2  0  0  0
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  8  9  1  0  0  0
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  9 10  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3758368

>  <PubChem CID>
127028034

>  <Formula>
C26H32N2O2

>  <Molecular Weight>
404.554000

>  <IUPAC Name>
1-(2-methoxyphenyl)-4-(5-naphthalen-2-yloxypentyl)piperazine

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=CC=CC=C1N2CCN(CC2)CCCCCOC3=CC4=CC=CC=C4C=C3

>  <Isomeric SMILES>
COC1=CC=CC=C1N2CCN(CC2)CCCCCOC3=CC4=CC=CC=C4C=C3

>  <InChI Std. ID>
InChI=1S/C26H32N2O2/c1-29-26-12-6-5-11-25(26)28-18-16-27(17-19-28)15-7-2-8-20-30-24-14-13-22-9-3-4-10-23(22)21-24/h3-6,9-14,21H,2,7-8,15-20H2,1H3

>  <InChI Key>
ATMVGYLFYGIYDI-UHFFFAOYSA-N

