
 CHEMBL162771

 67 71  0  0  0  0  0  0  0  0999 V2000
    3.7987    0.9949    2.0978 C   0  0  0  0  0
    2.7965    1.8293    2.8844 C   0  0  0  0  0
    1.3603    1.5817    2.4252 C   0  0  0  0  0
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    1.1498   -0.0281    4.7697 O   0  0  0  0  0
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   -6.2649    1.3241   13.5343 C   0  0  0  0  0
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   -4.4217    0.0196   14.3562 C   0  0  0  0  0
    3.8245    1.3399    1.0570 H   0  0  0  0  0
    4.8037    1.1449    2.5084 H   0  0  0  0  0
    3.0352    2.8932    2.7708 H   0  0  0  0  0
    2.8956    1.6043    3.9522 H   0  0  0  0  0
    0.6716    2.1245    3.0848 H   0  0  0  0  0
    1.2406    2.0165    1.4248 H   0  0  0  0  0
    0.0320    0.0404    1.7871 H   0  0  0  0  0
    1.8025   -1.8108    1.7060 H   0  0  0  0  0
    1.9918   -0.4946    0.5548 H   0  0  0  0  0
    3.5414   -0.8632    3.1611 H   0  0  0  0  0
    4.1590   -1.0483    1.5231 H   0  0  0  0  0
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    1.1772   -2.3066    5.9949 H   0  0  0  0  0
    1.0774   -3.5908    4.7874 H   0  0  0  0  0
    0.7552   -4.3528    7.1668 H   0  0  0  0  0
   -0.5146   -4.8481    6.0364 H   0  0  0  0  0
   -2.4954   -1.7346    7.6454 H   0  0  0  0  0
   -2.3190   -1.1971    5.2762 H   0  0  0  0  0
   -0.8618   -0.5694    6.0467 H   0  0  0  0  0
   -1.8994   -2.2076    9.8168 H   0  0  0  0  0
   -1.6983   -7.1859   10.0630 H   0  0  0  0  0
   -1.1595   -6.0381    7.9584 H   0  0  0  0  0
   -2.5154   -6.6687   12.7024 H   0  0  0  0  0
   -3.0915   -4.7217   14.1681 H   0  0  0  0  0
   -2.1896   -1.3988   12.2274 H   0  0  0  0  0
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   -4.5551   -1.7634   11.4835 H   0  0  0  0  0
   -6.6877   -0.6811   12.8829 H   0  0  0  0  0
   -6.1175    0.3794   11.5774 H   0  0  0  0  0
   -6.3183    2.2574   12.9638 H   0  0  0  0  0
   -7.2173    1.1952   14.0605 H   0  0  0  0  0
   -4.4187    2.1768   14.2452 H   0  0  0  0  0
   -5.4395    1.5400   15.5454 H   0  0  0  0  0
   -3.3682    0.0801   14.6456 H   0  0  0  0  0
   -4.9198   -0.7357   14.9769 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  2 35  1  0  0  0
  3  4  1  0  0  0
  3 36  1  0  0  0
  3 37  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 38  1  0  0  0
  5  6  1  0  0  0
  5 39  1  0  0  0
  5 40  1  0  0  0
  6 41  1  0  0  0
  6 42  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 43  1  0  0  0
 10 11  1  0  0  0
 10 15  1  0  0  0
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 22 23  1  0  0  0
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 30 65  1  0  0  0
 31 66  1  0  0  0
 31 67  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL162771

>  <PubChem CID>
44376494

>  <Formula>
C26H36N4O

>  <Molecular Weight>
420.601000

>  <IUPAC Name>
N-[4-[3-(2-pyrrolidin-1-ylethyl)-1H-indol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]cyclohexanecarboxamide

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CCC(CC1)C(=O)NN2CCC(=CC2)C3=CC4=C(C=C3)NC=C4CCN5CCCC5

>  <Isomeric SMILES>
C1CCC(CC1)C(=O)NN2CCC(=CC2)C3=CC4=C(C=C3)NC=C4CCN5CCCC5

>  <InChI Std. ID>
InChI=1S/C26H36N4O/c31-26(21-6-2-1-3-7-21)28-30-16-11-20(12-17-30)22-8-9-25-24(18-22)23(19-27-25)10-15-29-13-4-5-14-29/h8-9,11,18-19,21,27H,1-7,10,12-17H2,(H,28,31)

>  <InChI Key>
BARRGRIMEJNOGZ-UHFFFAOYSA-N

