
 CHEMBL480012

 45 48  0  0  0  0  0  0  0  0999 V2000
    5.1828   -1.5801   -0.6537 C   0  0  0  0  0
    4.2044   -0.8652   -1.3367 C   0  0  0  0  0
    2.8893   -0.8906   -0.8805 C   0  0  0  0  0
    2.5491   -1.6364    0.2551 C   0  0  0  0  0
    3.5191   -2.3855    0.9421 C   0  0  0  0  0
    4.8438   -2.3290    0.4784 C   0  0  0  0  0
    3.1246   -3.3200    2.4240 S   0  0  0  0  0
    3.7245   -4.9240    2.0628 C   0  0  0  0  0
    5.0264   -5.3218    2.2688 C   0  0  0  0  0
    5.1262   -6.6292    1.8913 N   0  0  0  0  0
    3.8998   -7.1016    1.4818 C   0  0  0  0  0
    2.9754   -6.0508    1.5885 C   0  0  0  0  0
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    1.2811   -7.6050    0.8025 C   0  0  0  0  0
    2.2332   -8.6175    0.7018 C   0  0  0  0  0
    3.5607   -8.3842    1.0417 C   0  0  0  0  0
    0.6940   -5.2951    1.3855 O   0  0  0  0  0
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   -1.5637   -3.4791   -0.0776 O   0  0  0  0  0
   -2.1447   -4.1100    2.0630 N   0  0  0  0  0
   -3.2278   -2.8956    2.3811 S   0  0  0  0  0
   -4.0505   -2.6360    1.2229 O   0  0  0  0  0
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    0.9040   -1.5554    0.7683 Cl  0  0  0  0  0
    6.2146   -1.5505   -0.9962 H   0  0  0  0  0
    4.4644   -0.2798   -2.2151 H   0  0  0  0  0
    2.1286   -0.3190   -1.4073 H   0  0  0  0  0
    5.6363   -2.8576    1.0006 H   0  0  0  0  0
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    1.9334   -9.6064    0.3613 H   0  0  0  0  0
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   -1.9870   -4.7345    2.8474 H   0  0  0  0  0
   -2.9306    0.0536    1.1876 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
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  4  5  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL480012

>  <PubChem CID>
44570315

>  <Formula>
C20H13Cl3N2O4S3

>  <Molecular Weight>
547.864000

>  <IUPAC Name>
2-[[3-(2-chlorophenyl)sulfanyl-1H-indol-4-yl]oxy]-N-(4,5-dichlorothiophen-2-yl)sulfonylacetamide

>  <XlogP>
6.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1=CC=C(C(=C1)SC2=CNC3=C2C(=CC=C3)OCC(=O)NS(=O)(=O)C4=CC(=C(S4)Cl)Cl)Cl

>  <Isomeric SMILES>
C1=CC=C(C(=C1)SC2=CNC3=C2C(=CC=C3)OCC(=O)NS(=O)(=O)C4=CC(=C(S4)Cl)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C20H13Cl3N2O4S3/c21-11-4-1-2-7-15(11)30-16-9-24-13-5-3-6-14(19(13)16)29-10-17(26)25-32(27,28)18-8-12(22)20(23)31-18/h1-9,24H,10H2,(H,25,26)

>  <InChI Key>
CBCFSDBGSJLNTD-UHFFFAOYSA-N

