
 CHEMBL1762273

 51 55  0  0  0  0  0  0  0  0999 V2000
    7.6984   -6.3307   -2.1552 C   0  0  0  0  0
    6.4538   -6.9655   -1.5112 C   0  0  0  0  0
    5.6592   -5.6808   -1.8385 C   0  0  0  0  0
    7.0193   -4.9612   -2.0143 C   0  0  0  0  0
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    3.2538   -5.3042   -4.4522 C   0  0  0  0  0
    3.8103   -6.4035   -4.9579 N   0  0  0  0  0
    4.8188   -6.6150   -4.0989 N   0  0  0  0  0
    2.1835   -4.6746   -5.0332 N   0  0  0  0  0
    0.6642   -5.3024   -4.6865 S   0  0  0  0  0
    0.6656   -5.9170   -3.3734 O   0  0  0  0  0
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    0.4157   -6.5642   -5.8903 C   0  0  0  0  0
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    0.0495   -8.7400   -7.4819 C   0  0  0  0  0
    0.6788   -8.9368   -6.3102 N   0  0  0  0  0
    0.8507   -7.8387   -5.5402 C   0  0  0  0  0
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    8.6291   -6.4504   -1.5939 H   0  0  0  0  0
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    6.5602   -7.1436   -0.4346 H   0  0  0  0  0
    6.1188   -7.8980   -1.9753 H   0  0  0  0  0
    5.1110   -5.2232   -1.0061 H   0  0  0  0  0
    7.1194   -4.2947   -2.8759 H   0  0  0  0  0
    7.3299   -4.4115   -1.1171 H   0  0  0  0  0
    5.4233   -7.4189   -4.2285 H   0  0  0  0  0
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   -4.6754   -3.0174   -6.4243 H   0  0  0  0  0
   -2.9275   -2.7456   -6.2850 H   0  0  0  0  0
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   -4.1129   -4.8494   -9.7909 H   0  0  0  0  0
   -5.2488   -4.7579   -8.4116 H   0  0  0  0  0
  1  4  1  0  0  0
  1  2  1  0  0  0
  1 28  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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 14 15  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1762273

>  <PubChem CID>
54583454

>  <Formula>
C18H24N6O2S

>  <Molecular Weight>
388.490000

>  <IUPAC Name>
4-[[(1S,3R,4R)-3-bicyclo[2.2.1]heptanyl]amino]-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)N[C@@H]4C[C@H]5CC[C@@H]4C5

>  <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)/t11-,13+,15+/m0/s1

>  <InChI Key>
CWSNZLKGGODPSS-NJZAAPMLSA-N

