
 CHEMBL1208924

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.2470   -1.2336   -0.0256 C   0  0  0  0  0
    2.1410    0.0652   -0.2229 C   0  0  0  0  0
    1.2724    1.3008    0.2644 C   0  0  0  0  0
   -0.0662    0.6926    0.2868 C   0  0  0  0  0
   -0.1028   -0.6581    0.1309 C   0  0  0  0  0
   -1.4601   -1.0169    0.1654 C   0  0  0  0  0
   -2.2172    0.0992    0.3326 N   0  0  0  0  0
   -1.3353    1.1249    0.4016 N   0  0  0  0  0
   -2.0166   -2.3656    0.0405 C   0  0  0  0  0
   -1.3567   -3.3889   -0.0993 O   0  0  0  0  0
   -3.3692   -2.4472    0.0870 O   0  0  0  0  0
    2.5559    0.2319   -1.6718 C   0  0  0  0  0
    1.7617    0.3466   -2.7984 C   0  0  0  0  0
    2.5253    0.4950   -3.9913 C   0  0  0  0  0
    3.8782    0.4877   -3.7404 C   0  0  0  0  0
    4.2215    0.3047   -2.0767 S   0  0  0  0  0
    1.5408   -1.7484    0.8958 H   0  0  0  0  0
    1.3161   -1.9320   -0.8647 H   0  0  0  0  0
    3.0368   -0.0168    0.4066 H   0  0  0  0  0
    1.3414    2.1664   -0.4004 H   0  0  0  0  0
    1.5725    1.5923    1.2765 H   0  0  0  0  0
   -1.6935    2.0677    0.5212 H   0  0  0  0  0
   -3.5426   -3.4029   -0.0097 H   0  0  0  0  0
    0.6781    0.3248   -2.7715 H   0  0  0  0  0
    2.1027    0.6001   -4.9830 H   0  0  0  0  0
    4.6845    0.5806   -4.4549 H   0  0  0  0  0
  1  2  1  0  0  0
  1  5  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  3  1  0  0  0
  2 12  1  0  0  0
  2 19  1  0  0  0
  3  4  1  0  0  0
  3 20  1  0  0  0
  3 21  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6  9  1  0  0  0
  7  8  1  0  0  0
  8 22  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 23  1  0  0  0
 12 13  2  0  0  0
 12 16  1  0  0  0
 13 14  1  0  0  0
 13 24  1  0  0  0
 14 15  2  0  0  0
 14 25  1  0  0  0
 15 16  1  0  0  0
 15 26  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1208924

>  <PubChem CID>
12003596

>  <Formula>
C11H10N2O2S

>  <Molecular Weight>
234.273000

>  <IUPAC Name>
5-thiophen-2-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1C(CC2=C1C(=NN2)C(=O)O)C3=CC=CS3

>  <Isomeric SMILES>
C1C(CC2=C1C(=NN2)C(=O)O)C3=CC=CS3

>  <InChI Std. ID>
InChI=1S/C11H10N2O2S/c14-11(15)10-7-4-6(5-8(7)12-13-10)9-2-1-3-16-9/h1-3,6H,4-5H2,(H,12,13)(H,14,15)

>  <InChI Key>
SFQJREZXBUMOEM-UHFFFAOYSA-N

