
 CHEMBL520290

 51 55  0  0  0  0  0  0  0  0999 V2000
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  -10.2268   -2.9883    5.6188 C   0  0  0  0  0
   -6.6193   -1.9766    0.9099 S   0  0  0  0  0
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   -8.3242   -1.2017   -1.1185 C   0  0  0  0  0
   -8.8589   -0.0600   -1.6409 N   0  0  0  0  0
   -8.3392    1.0447   -1.0037 C   0  0  0  0  0
   -7.4512    0.5928   -0.0168 C   0  0  0  0  0
   -6.7802    1.5574    0.7832 C   0  0  0  0  0
   -7.0053    2.9211    0.5073 C   0  0  0  0  0
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   -8.6001    2.3978   -1.2394 C   0  0  0  0  0
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   -5.5833    2.0781    2.7626 C   0  0  0  0  0
   -4.9222    1.4748    3.9949 C   0  0  0  0  0
   -4.4964    2.1869    4.8961 O   0  0  0  0  0
   -4.8339    0.0776    4.0213 N   0  0  0  0  0
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   -4.3016   -2.1858    4.8857 O   0  0  0  0  0
   -2.6531   -0.4373    5.6989 C   0  0  0  0  0
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   -0.3188   -0.3863    5.7547 C   0  0  0  0  0
   -0.6350    0.5868    6.6757 C   0  0  0  0  0
   -2.3254    0.7618    6.8716 S   0  0  0  0  0
  -12.2400   -2.9746    6.3869 H   0  0  0  0  0
  -13.2499   -2.2971    4.2240 H   0  0  0  0  0
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   -8.6058   -2.1746   -1.4990 H   0  0  0  0  0
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   -8.0685    4.3915   -0.6466 H   0  0  0  0  0
   -9.3048    2.7177   -2.0002 H   0  0  0  0  0
   -6.4741    2.6054    3.1258 H   0  0  0  0  0
   -4.8603    2.7866    2.3408 H   0  0  0  0  0
   -5.2465   -0.4602    3.2599 H   0  0  0  0  0
   -1.4812   -1.7718    4.4530 H   0  0  0  0  0
    0.6973   -0.6612    5.4994 H   0  0  0  0  0
    0.0433    1.2002    7.2528 H   0  0  0  0  0
  1  2  2  0  0  0
  1 10  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  3  4  2  0  0  0
  3 36  1  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 37  1  0  0  0
  6  7  1  0  0  0
  6 11  1  0  0  0
  7  8  2  0  0  0
  7 38  1  0  0  0
  8  9  1  0  0  0
  8 39  1  0  0  0
  9 10  2  0  0  0
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 11 12  1  0  0  0
 12 16  1  0  0  0
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 23 25  1  0  0  0
 23 24  2  0  0  0
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 25 48  1  0  0  0
 26 29  1  0  0  0
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 26 27  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL520290

>  <PubChem CID>
44570149

>  <Formula>
C24H18N2O4S3

>  <Molecular Weight>
494.598000

>  <IUPAC Name>
2-[(3-naphthalen-2-ylsulfanyl-1H-indol-4-yl)oxy]-N-thiophen-2-ylsulfonylacetamide

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1=CC=C2C=C(C=CC2=C1)SC3=CNC4=C3C(=CC=C4)OCC(=O)NS(=O)(=O)C5=CC=CS5

>  <Isomeric SMILES>
C1=CC=C2C=C(C=CC2=C1)SC3=CNC4=C3C(=CC=C4)OCC(=O)NS(=O)(=O)C5=CC=CS5

>  <InChI Std. ID>
InChI=1S/C24H18N2O4S3/c27-22(26-33(28,29)23-9-4-12-31-23)15-30-20-8-3-7-19-24(20)21(14-25-19)32-18-11-10-16-5-1-2-6-17(16)13-18/h1-14,25H,15H2,(H,26,27)

>  <InChI Key>
BPWBFGBNTRGBLC-UHFFFAOYSA-N

