
 SCHEMBL8762524

 42 45  0  0  0  0  0  0  0  0999 V2000
    3.2692   -0.8954   -0.8820 C   0  0  0  0  0
    4.3692   -0.4045   -0.1247 O   0  0  0  0  0
    4.5441    0.9540   -0.1415 C   0  0  0  0  0
    5.8511    1.3815    0.1159 C   0  0  0  0  0
    6.1561    2.7564    0.1068 C   0  0  0  0  0
    5.1379    3.6767   -0.1250 C   0  0  0  0  0
    3.8139    3.2638   -0.3542 C   0  0  0  0  0
    3.5370    1.8898   -0.3616 C   0  0  0  0  0
    5.7099    4.9437   -0.0779 N   0  0  0  0  0
    7.0765    4.8498    0.1592 C   0  0  0  0  0
    7.3496    3.4955    0.2882 C   0  0  0  0  0
    8.0299    5.9642    0.2918 C   0  0  0  0  0
    8.9994    5.9252    1.3065 C   0  0  0  0  0
    9.9393    6.9497    1.4466 C   0  0  0  0  0
    9.9204    8.0364    0.5775 C   0  0  0  0  0
    8.9730    8.0867   -0.4421 C   0  0  0  0  0
    8.0475    7.0497   -0.5928 C   0  0  0  0  0
    4.9287    6.1727   -0.2081 C   0  0  0  0  0
    4.7042    6.5748   -1.6388 C   0  0  0  0  0
    4.9350    5.8388   -2.7906 C   0  0  0  0  0
    4.5234    6.7485   -4.1813 S   0  0  0  0  0
    4.0747    8.0633   -3.1778 C   0  0  0  0  0
    4.2084    7.8541   -1.8792 N   0  0  0  0  0
    3.5926    9.2979   -3.7708 C   0  0  0  0  0
    3.3903    9.5481   -4.9551 O   0  0  0  0  0
    3.3653   10.2629   -2.8447 O   0  0  0  0  0
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    6.6322    0.6504    0.3022 H   0  0  0  0  0
    3.0144    3.9769   -0.5302 H   0  0  0  0  0
    2.5095    1.5823   -0.5288 H   0  0  0  0  0
    8.3281    3.0746    0.4834 H   0  0  0  0  0
    9.0320    5.0893    2.0020 H   0  0  0  0  0
   10.6860    6.8963    2.2343 H   0  0  0  0  0
   10.6468    8.8371    0.6874 H   0  0  0  0  0
    8.9602    8.9287   -1.1306 H   0  0  0  0  0
    7.3578    7.1052   -1.4270 H   0  0  0  0  0
    5.4353    6.9676    0.3478 H   0  0  0  0  0
    3.9656    6.0111    0.2888 H   0  0  0  0  0
    5.3241    4.8338   -2.8855 H   0  0  0  0  0
    3.0622   11.0261   -3.3749 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  5  6  2  0  0  0
  5 11  1  0  0  0
  6  7  1  0  0  0
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  8 32  1  0  0  0
  9 10  1  0  0  0
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 12 13  2  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL8762524

>  <PubChem CID>
50907867

>  <Formula>
C20H16N2O3S

>  <Molecular Weight>
364.419000

>  <IUPAC Name>
4-[(5-methoxy-2-phenylindol-1-yl)methyl]-1,3-thiazole-2-carboxylic acid

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1=CC2=C(C=C1)N(C(=C2)C3=CC=CC=C3)CC4=CSC(=N4)C(=O)O

>  <Isomeric SMILES>
COC1=CC2=C(C=C1)N(C(=C2)C3=CC=CC=C3)CC4=CSC(=N4)C(=O)O

>  <InChI Std. ID>
InChI=1S/C20H16N2O3S/c1-25-16-7-8-17-14(9-16)10-18(13-5-3-2-4-6-13)22(17)11-15-12-26-19(21-15)20(23)24/h2-10,12H,11H2,1H3,(H,23,24)

>  <InChI Key>
UGVGPIXOUUXAAC-UHFFFAOYSA-N

