
 SCHEMBL1513030

 34 37  0  0  0  0  0  0  0  0999 V2000
   -1.3355   -1.0122    0.0426 C   0  0  0  0  0
   -0.4456   -1.8692    0.6875 C   0  0  0  0  0
    0.9333   -1.6671    0.5715 C   0  0  0  0  0
    1.4361   -0.6118   -0.2011 C   0  0  0  0  0
    0.5272    0.2499   -0.8353 C   0  0  0  0  0
   -0.8502    0.0504   -0.7156 C   0  0  0  0  0
    2.8775   -0.3758   -0.3294 C   0  0  0  0  0
    3.3461    0.8777   -0.3916 N   0  0  0  0  0
    4.6956    0.7613   -0.4769 N   0  0  0  0  0
    5.1068   -0.5640   -0.5024 C   0  0  0  0  0
    6.3797   -1.1564   -0.5957 C   0  0  0  0  0
    6.4570   -2.5516   -0.6077 C   0  0  0  0  0
    5.3075   -3.3310   -0.5374 C   0  0  0  0  0
    4.0459   -2.7323   -0.4478 C   0  0  0  0  0
    3.9408   -1.3245   -0.4175 C   0  0  0  0  0
    5.4831    1.9253   -0.5306 C   0  0  0  0  0
    6.7985    1.9205   -0.6068 N   0  0  0  0  0
    7.2752    3.2345   -0.6332 C   0  0  0  0  0
    6.2821    4.1983   -0.5806 C   0  0  0  0  0
    4.7376    3.4627   -0.4944 S   0  0  0  0  0
    8.6973    3.5582   -0.7078 C   0  0  0  0  0
    9.1651    4.6877   -0.7288 O   0  0  0  0  0
    9.5195    2.4845   -0.7542 O   0  0  0  0  0
   -2.4072   -1.1658    0.1392 H   0  0  0  0  0
   -0.8248   -2.6899    1.2911 H   0  0  0  0  0
    1.6026   -2.3297    1.1133 H   0  0  0  0  0
    0.8916    1.0893   -1.4247 H   0  0  0  0  0
   -1.5401    0.7291   -1.2101 H   0  0  0  0  0
    7.2835   -0.5560   -0.6605 H   0  0  0  0  0
    7.4308   -3.0316   -0.6795 H   0  0  0  0  0
    5.3881   -4.4155   -0.5566 H   0  0  0  0  0
    3.1595   -3.3589   -0.4114 H   0  0  0  0  0
    6.3938    5.2741   -0.5872 H   0  0  0  0  0
   10.4127    2.8806   -0.7990 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  3  4  2  0  0  0
  3 26  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 27  1  0  0  0
  6 28  1  0  0  0
  7 15  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 16  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL1513030

>  <PubChem CID>
46220500

>  <Formula>
C17H11N3O2S

>  <Molecular Weight>
321.354000

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

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CC=C(C=C1)C2=NN(C3=CC=CC=C32)C4=NC(=CS4)C(=O)O

>  <Isomeric SMILES>
C1=CC=C(C=C1)C2=NN(C3=CC=CC=C32)C4=NC(=CS4)C(=O)O

>  <InChI Std. ID>
InChI=1S/C17H11N3O2S/c21-16(22)13-10-23-17(18-13)20-14-9-5-4-8-12(14)15(19-20)11-6-2-1-3-7-11/h1-10H,(H,21,22)

>  <InChI Key>
BBPQFNXNWBDJGB-UHFFFAOYSA-N

