
 CHEMBL1762274

 51 55  0  0  0  0  0  0  0  0999 V2000
    1.4761   -4.5794    1.2183 C   0  0  0  0  0
    0.2345   -3.7195    1.4932 C   0  0  0  0  0
    0.6698   -2.7716    0.3385 C   0  0  0  0  0
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    0.3312   -4.6988   -5.0310 S   0  0  0  0  0
    0.1009   -3.5090   -5.8325 O   0  0  0  0  0
    1.6283   -4.9591   -4.4479 O   0  0  0  0  0
   -0.0926   -6.0850   -6.0411 C   0  0  0  0  0
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   -1.3520   -7.2186   -7.7112 C   0  0  0  0  0
   -0.5531   -8.3342   -7.4868 C   0  0  0  0  0
    0.4462   -8.3738   -6.5863 N   0  0  0  0  0
    0.6525   -7.2447   -5.8728 C   0  0  0  0  0
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    2.0068   -4.9355    2.1053 H   0  0  0  0  0
    1.2880   -5.4284    0.5526 H   0  0  0  0  0
    0.2508   -3.2330    2.4768 H   0  0  0  0  0
   -0.7274   -4.2287    1.3814 H   0  0  0  0  0
    0.5438   -1.7211    0.6259 H   0  0  0  0  0
    2.6593   -3.5744   -0.3926 H   0  0  0  0  0
    2.7252   -2.7522    1.1788 H   0  0  0  0  0
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   -5.8365   -2.5784   -6.4835 H   0  0  0  0  0
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   -5.5340   -4.7223   -5.7541 H   0  0  0  0  0
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   -4.4987   -6.2356   -7.4172 H   0  0  0  0  0
   -5.2100   -4.8212   -9.5397 H   0  0  0  0  0
   -6.3590   -4.5347   -8.1982 H   0  0  0  0  0
  1  4  1  0  0  0
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  1 28  1  0  0  0
  1 29  1  0  0  0
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  2 31  1  0  0  0
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  3  5  1  0  0  0
  3 32  1  0  0  0
  4 33  1  0  0  0
  4 34  1  0  0  0
  5  9  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 10  1  0  0  0
  8  9  1  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
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 11 14  1  0  0  0
 11 13  2  0  0  0
 11 12  2  0  0  0
 14 15  2  0  0  0
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 20 21  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1762274

>  <PubChem CID>
54582478

>  <Formula>
C18H24N6O2S

>  <Molecular Weight>
388.490000

>  <IUPAC Name>
4-(3-bicyclo[2.2.1]heptanylamino)-N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)pyridine-3-sulfonamide

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CC(C1)C2=NC(=NN2)NS(=O)(=O)C3=C(C=CN=C3)NC4CC5CCC4C5

>  <Isomeric SMILES>
C1CC(C1)C2=NC(=NN2)NS(=O)(=O)C3=C(C=CN=C3)NC4CC5CCC4C5

>  <InChI Std. ID>
InChI=1S/C18H24N6O2S/c25-27(26,24-18-21-17(22-23-18)12-2-1-3-12)16-10-19-7-6-14(16)20-15-9-11-4-5-13(15)8-11/h6-7,10-13,15H,1-5,8-9H2,(H,19,20)(H2,21,22,23,24)

>  <InChI Key>
CWSNZLKGGODPSS-UHFFFAOYSA-N

