
 CHEMBL202604

 60 64  0  0  0  0  0  0  0  0999 V2000
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   -3.7400    0.5202   -7.7876 C   0  0  0  0  0
   -3.7972    0.4445   -9.1527 N   0  0  0  0  0
   -4.5440    1.4823   -9.6536 C   0  0  0  0  0
   -4.8632    1.8017  -10.9789 C   0  0  0  0  0
   -5.6545    2.9314  -11.2017 C   0  0  0  0  0
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    4.2726   -3.2104   -0.4011 C   0  0  0  0  0
    3.3716   -4.1195    0.1577 C   0  0  0  0  0
    2.0152   -3.8529    0.0598 C   0  0  0  0  0
    0.9912   -5.7180    0.4449 H   0  0  0  0  0
    0.8044   -4.4640    1.7116 H   0  0  0  0  0
   -0.4569   -4.6486   -1.0412 H   0  0  0  0  0
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   -0.0853   -2.0648    1.6438 H   0  0  0  0  0
    0.2898   -0.7121    0.6097 H   0  0  0  0  0
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   -2.6558   -2.6622   -1.3572 H   0  0  0  0  0
   -0.5301   -2.9741   -2.5527 H   0  0  0  0  0
   -0.0697   -1.3211   -2.2603 H   0  0  0  0  0
   -0.5880    0.5207   -1.0091 H   0  0  0  0  0
   -1.9278    1.2895   -0.1813 H   0  0  0  0  0
   -1.8158    0.5738   -3.1466 H   0  0  0  0  0
   -1.6279    2.1543   -2.4361 H   0  0  0  0  0
   -3.9539    2.1282   -1.5729 H   0  0  0  0  0
   -4.2033    0.4955   -2.2253 H   0  0  0  0  0
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   -6.1402    3.9900   -8.0013 H   0  0  0  0  0
    2.1000   -0.8689   -1.5935 H   0  0  0  0  0
    4.5255   -1.3447   -1.4577 H   0  0  0  0  0
    5.3413   -3.3970   -0.3334 H   0  0  0  0  0
    3.7319   -5.0088    0.6645 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
  2 34  1  0  0  0
  2 35  1  0  0  0
  3  4  1  0  0  0
  3  8  1  0  0  0
  3 26  1  0  0  0
  4  5  1  0  0  0
  4 36  1  0  0  0
  4 37  1  0  0  0
  5  6  1  0  0  0
  5 38  1  0  0  0
  5 39  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  1  0  0  0
  7 40  1  0  0  0
  7 41  1  0  0  0
  8 42  1  0  0  0
  8 43  1  0  0  0
  9 10  1  0  0  0
  9 44  1  0  0  0
  9 45  1  0  0  0
 10 11  1  0  0  0
 10 46  1  0  0  0
 10 47  1  0  0  0
 11 12  1  0  0  0
 11 48  1  0  0  0
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 13 14  2  0  0  0
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 20 21  2  0  0  0
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 23 24  1  0  0  0
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 24 25  2  0  0  0
 24 56  1  0  0  0
 26 31  1  0  0  0
 26 27  2  0  0  0
 27 28  1  0  0  0
 27 57  1  0  0  0
 28 29  2  0  0  0
 28 58  1  0  0  0
 29 30  1  0  0  0
 29 59  1  0  0  0
 30 31  2  0  0  0
 30 60  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL202604

>  <PubChem CID>
44407140

>  <Formula>
C26H29N3O2

>  <Molecular Weight>
415.537000

>  <IUPAC Name>
2-(1H-indol-3-yl)-2-oxo-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)acetamide

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CC2(CCN(CC2)CCCNC(=O)C(=O)C3=CNC4=CC=CC=C43)C5=CC=CC=C51

>  <Isomeric SMILES>
C1CC2(CCN(CC2)CCCNC(=O)C(=O)C3=CNC4=CC=CC=C43)C5=CC=CC=C51

>  <InChI Std. ID>
InChI=1S/C26H29N3O2/c30-24(21-18-28-23-9-4-2-7-20(21)23)25(31)27-14-5-15-29-16-12-26(13-17-29)11-10-19-6-1-3-8-22(19)26/h1-4,6-9,18,28H,5,10-17H2,(H,27,31)

>  <InChI Key>
APLWPPYHHVPQKU-UHFFFAOYSA-N

