
 CHEMBL2018967

 55 58  0  0  0  0  0  0  0  0999 V2000
    1.1225   -0.4596    0.2494 C   0  0  0  0  0
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    5.5015    0.3536    0.0203 C   0  0  0  0  0
    6.6486    1.0172   -0.0414 N   0  0  0  0  0
    6.2808    2.3126    0.0710 N   0  0  0  0  0
    7.3165    3.3366    0.1433 C   0  0  0  0  0
    7.6556    3.8983   -1.2164 C   0  0  0  0  0
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    8.5142    3.5813   -3.4839 C   0  0  0  0  0
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    7.8012    5.7784   -2.7445 C   0  0  0  0  0
    7.4669    5.2588   -1.4935 C   0  0  0  0  0
    9.0969    2.6829   -4.5411 C   0  0  0  0  0
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   11.2749    1.8712   -5.3068 C   0  0  0  0  0
   10.7905    1.2771   -6.2684 O   0  0  0  0  0
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    7.5247   -2.0608    1.6653 C   0  0  0  0  0
    8.3278   -3.1907    1.6816 C   0  0  0  0  0
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    9.8699   -1.5384    2.1211 C   0  0  0  0  0
    8.4330   -0.6562    2.0354 S   0  0  0  0  0
   11.3512   -0.7251    2.4249 Cl  0  0  0  0  0
    0.5481    0.0241   -0.5476 H   0  0  0  0  0
    0.7986   -0.1160    1.2373 H   0  0  0  0  0
    0.9306   -1.5352    0.1905 H   0  0  0  0  0
    1.0955    2.0993    0.3652 H   0  0  0  0  0
    2.0926    4.3131    0.5025 H   0  0  0  0  0
    4.5518    4.6350    0.3638 H   0  0  0  0  0
    8.2071    2.8877    0.5993 H   0  0  0  0  0
    6.9625    4.1160    0.8271 H   0  0  0  0  0
    8.3571    2.0126   -2.0124 H   0  0  0  0  0
    8.5806    5.3671   -4.7037 H   0  0  0  0  0
    7.6543    6.8360   -2.9505 H   0  0  0  0  0
    7.0621    5.9287   -0.7380 H   0  0  0  0  0
    8.8750    3.0677   -5.5437 H   0  0  0  0  0
    8.6595    1.6789   -4.4834 H   0  0  0  0  0
   10.9874    3.1736   -3.7208 H   0  0  0  0  0
   13.1030    0.9153   -4.7244 H   0  0  0  0  0
   13.0538    2.6451   -4.3179 H   0  0  0  0  0
   13.0488    1.6745   -6.9705 H   0  0  0  0  0
    4.5229   -1.3577   -0.3157 H   0  0  0  0  0
    7.9366   -4.1881    1.5138 H   0  0  0  0  0
   10.4970   -3.6131    1.9959 H   0  0  0  0  0
  1  2  1  0  0  0
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  3  8  1  0  0  0
  4  5  1  0  0  0
  4 38  1  0  0  0
  5  6  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2018967

>  <PubChem CID>
59456051

>  <Formula>
C22H21ClN4O5S2

>  <Molecular Weight>
521.003000

>  <IUPAC Name>
N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-hydroxyacetamide

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
COC1=CC=CC2=C1C(=NN2CC3=CC(=CC=C3)CNC(=O)CO)NS(=O)(=O)C4=CC=C(S4)Cl

>  <Isomeric SMILES>
COC1=CC=CC2=C1C(=NN2CC3=CC(=CC=C3)CNC(=O)CO)NS(=O)(=O)C4=CC=C(S4)Cl

>  <InChI Std. ID>
InChI=1S/C22H21ClN4O5S2/c1-32-17-7-3-6-16-21(17)22(26-34(30,31)20-9-8-18(23)33-20)25-27(16)12-15-5-2-4-14(10-15)11-24-19(29)13-28/h2-10,28H,11-13H2,1H3,(H,24,29)(H,25,26)

>  <InChI Key>
BVOPWMBIOVEEKK-UHFFFAOYSA-N

