
 CHEMBL3092152

 38 41  0  0  0  0  0  0  0  0999 V2000
   -1.3498    0.2437    0.5976 C   0  0  0  0  0
   -0.5457   -0.7394    1.1678 C   0  0  0  0  0
    0.8332   -0.7439    0.9337 C   0  0  0  0  0
    1.4233    0.2110    0.0952 C   0  0  0  0  0
    0.5961    1.1922   -0.4747 C   0  0  0  0  0
   -0.7778    1.2152   -0.2180 C   0  0  0  0  0
    2.8763    0.2452   -0.1376 C   0  0  0  0  0
    3.7499    1.3191   -0.0208 C   0  0  0  0  0
    5.0427    0.8358   -0.3453 C   0  0  0  0  0
    4.9982   -0.4820   -0.5678 N   0  0  0  0  0
    3.6862   -0.8362   -0.4917 N   0  0  0  0  0
    3.3593   -2.1771   -0.7891 C   0  0  0  0  0
    2.1353   -2.6391   -0.9291 N   0  0  0  0  0
    2.1670   -4.0132   -1.1944 C   0  0  0  0  0
    3.4420   -4.5528   -1.2180 C   0  0  0  0  0
    4.6131   -3.3324   -0.9618 S   0  0  0  0  0
    0.9640   -4.8081   -1.4173 C   0  0  0  0  0
    0.9421   -6.0142   -1.6281 O   0  0  0  0  0
   -0.1933   -4.1055   -1.3852 O   0  0  0  0  0
    6.3241    1.5434   -0.4350 C   0  0  0  0  0
    7.5019    0.9141   -0.0015 C   0  0  0  0  0
    8.7371    1.5587   -0.1039 C   0  0  0  0  0
    8.8106    2.8397   -0.6453 C   0  0  0  0  0
    7.6522    3.4724   -1.0916 C   0  0  0  0  0
    6.4162    2.8258   -0.9933 C   0  0  0  0  0
    3.3703    2.9067    0.4810 Cl  0  0  0  0  0
   -2.4193    0.2530    0.7894 H   0  0  0  0  0
   -0.9891   -1.5058    1.7980 H   0  0  0  0  0
    1.4331   -1.5152    1.4098 H   0  0  0  0  0
    1.0125    1.9608   -1.1219 H   0  0  0  0  0
   -1.3985    1.9929   -0.6555 H   0  0  0  0  0
    3.7280   -5.5822   -1.3856 H   0  0  0  0  0
   -0.8794   -4.7747   -1.5725 H   0  0  0  0  0
    7.4633   -0.0916    0.4133 H   0  0  0  0  0
    9.6398    1.0560    0.2331 H   0  0  0  0  0
    9.7716    3.3409   -0.7283 H   0  0  0  0  0
    7.7105    4.4672   -1.5261 H   0  0  0  0  0
    5.5364    3.3334   -1.3797 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  3  4  2  0  0  0
  3 29  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 30  1  0  0  0
  6 31  1  0  0  0
  7 11  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 26  1  0  0  0
  9 10  2  0  0  0
  9 20  1  0  0  0
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 11 12  1  0  0  0
 12 13  2  0  0  0
 12 16  1  0  0  0
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 17 19  1  0  0  0
 17 18  2  0  0  0
 19 33  1  0  0  0
 20 21  2  0  0  0
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 25 38  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3092152

>  <PubChem CID>
44611633

>  <Formula>
C19H12ClN3O2S

>  <Molecular Weight>
381.834000

>  <IUPAC Name>
2-(4-chloro-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CC=C(C=C1)C2=C(C(=NN2C3=NC(=CS3)C(=O)O)C4=CC=CC=C4)Cl

>  <Isomeric SMILES>
C1=CC=C(C=C1)C2=C(C(=NN2C3=NC(=CS3)C(=O)O)C4=CC=CC=C4)Cl

>  <InChI Std. ID>
InChI=1S/C19H12ClN3O2S/c20-15-16(12-7-3-1-4-8-12)22-23(17(15)13-9-5-2-6-10-13)19-21-14(11-26-19)18(24)25/h1-11H,(H,24,25)

>  <InChI Key>
AHDUYVFZHGOLRU-UHFFFAOYSA-N

