
 CHEMBL537651

 61 64  0  0  0  0  0  0  0  0999 V2000
    2.4488    3.0886    1.9485 C   0  0  0  0  0
    1.1414    2.4538    2.4121 C   0  0  0  0  0
    0.7479    1.2861    1.5061 C   0  0  0  0  0
    1.7887    0.2550    1.3876 N   0  0  0  0  0
    3.0386    0.8628    0.8956 C   0  0  0  0  0
    3.5367    2.0379    1.7449 C   0  0  0  0  0
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    1.2429   -4.7420    5.8821 N   0  0  0  0  0
    1.7287   -5.3236    7.1407 C   0  0  0  0  0
    0.8254   -6.4051    7.7367 C   0  0  0  0  0
    0.4520   -7.5023    6.7315 C   0  0  0  0  0
   -0.0128   -6.8806    5.4082 C   0  0  0  0  0
    0.9227   -5.7830    4.8972 C   0  0  0  0  0
    1.5279   -8.5582    6.5591 C   0  0  0  0  0
    2.8027   -8.3950    6.0472 C   0  0  0  0  0
    3.4455   -9.6019    6.0605 N   0  0  0  0  0
    2.6244  -10.5705    6.5795 C   0  0  0  0  0
    2.8659  -11.9348    6.7820 C   0  0  0  0  0
    1.8375  -12.6993    7.3367 C   0  0  0  0  0
    0.6182  -12.1182    7.6724 C   0  0  0  0  0
    0.3938  -10.7517    7.4615 C   0  0  0  0  0
    1.4154   -9.9529    6.9031 C   0  0  0  0  0
    2.2766    3.6170    1.0027 H   0  0  0  0  0
    2.7809    3.8374    2.6762 H   0  0  0  0  0
    0.3464    3.2081    2.4045 H   0  0  0  0  0
    1.2402    2.1132    3.4495 H   0  0  0  0  0
   -0.2028    0.8565    1.8370 H   0  0  0  0  0
    0.5366    1.6763    0.5010 H   0  0  0  0  0
    3.8263    0.1035    0.8158 H   0  0  0  0  0
    2.8707    1.2146   -0.1311 H   0  0  0  0  0
    3.8847    1.6774    2.7199 H   0  0  0  0  0
    4.4028    2.5007    1.2577 H   0  0  0  0  0
    2.4016    0.1030    3.4283 H   0  0  0  0  0
    2.8006   -1.2694    2.4045 H   0  0  0  0  0
    0.3802   -1.9114    2.3092 H   0  0  0  0  0
   -0.0025   -0.5840    3.4139 H   0  0  0  0  0
    1.5668   -1.5480    5.1153 H   0  0  0  0  0
    1.8848   -2.8985    4.0238 H   0  0  0  0  0
   -0.5847   -3.4711    4.0708 H   0  0  0  0  0
   -0.8607   -2.1252    5.1576 H   0  0  0  0  0
   -0.7562   -4.2421    6.4187 H   0  0  0  0  0
    0.4680   -3.0794    6.9032 H   0  0  0  0  0
    1.8859   -4.5346    7.8873 H   0  0  0  0  0
    2.7289   -5.7342    6.9671 H   0  0  0  0  0
    1.3085   -6.8402    8.6203 H   0  0  0  0  0
   -0.0981   -5.9303    8.0940 H   0  0  0  0  0
   -0.4213   -8.0209    7.1511 H   0  0  0  0  0
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    1.8622   -6.2302    4.5570 H   0  0  0  0  0
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    3.3191   -7.5245    5.6682 H   0  0  0  0  0
    4.3886   -9.7619    5.7371 H   0  0  0  0  0
    3.8163  -12.3874    6.5198 H   0  0  0  0  0
    1.9937  -13.7617    7.5073 H   0  0  0  0  0
   -0.1704  -12.7309    8.1035 H   0  0  0  0  0
   -0.5636  -10.3156    7.7291 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  4  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  5 34  1  0  0  0
  6 35  1  0  0  0
  6 36  1  0  0  0
  7  8  1  0  0  0
  7 37  1  0  0  0
  7 38  1  0  0  0
  8  9  1  0  0  0
  8 39  1  0  0  0
  8 40  1  0  0  0
  9 10  1  0  0  0
  9 41  1  0  0  0
  9 42  1  0  0  0
 10 11  1  0  0  0
 10 43  1  0  0  0
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 12 13  1  0  0  0
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 15 16  1  0  0  0
 15 18  1  0  0  0
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 16 17  1  0  0  0
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 18 19  2  0  0  0
 19 20  1  0  0  0
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 20 21  1  0  0  0
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 21 22  2  0  0  0
 22 23  1  0  0  0
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 24 25  1  0  0  0
 24 60  1  0  0  0
 25 26  2  0  0  0
 25 61  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL537651

>  <PubChem CID>
9798656

>  <Formula>
C23H35N3

>  <Molecular Weight>
353.554000

>  <IUPAC Name>
3-[1-(5-piperidin-1-ylpentyl)piperidin-4-yl]-1H-indole

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CCN(CC1)CCCCCN2CCC(CC2)C3=CNC4=CC=CC=C43

>  <Isomeric SMILES>
C1CCN(CC1)CCCCCN2CCC(CC2)C3=CNC4=CC=CC=C43

>  <InChI Std. ID>
InChI=1S/C23H35N3/c1-5-13-25(14-6-1)15-7-2-8-16-26-17-11-20(12-18-26)22-19-24-23-10-4-3-9-21(22)23/h3-4,9-10,19-20,24H,1-2,5-8,11-18H2

>  <InChI Key>
FRIXRRJXNBEHHG-UHFFFAOYSA-N

