
 CHEMBL125588

 53 57  0  0  0  0  0  0  0  0999 V2000
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   -1.4921    2.9864    4.3094 C   0  0  0  0  0
   -2.7045   -0.8287    1.0878 H   0  0  0  0  0
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   -0.0444    5.6309    2.8511 H   0  0  0  0  0
    0.8553    3.8385    3.1698 H   0  0  0  0  0
    1.2517    2.3157    2.4588 H   0  0  0  0  0
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   -1.4379    4.0694    4.3795 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
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  1 33  1  0  0  0
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  2  7  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6 36  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 37  1  0  0  0
  9 10  2  0  0  0
  9 38  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL125588

>  <PubChem CID>
11743212

>  <Formula>
C27H22O3S

>  <Molecular Weight>
426.530000

>  <IUPAC Name>
2-[2-[5-(2-phenylmethoxyphenyl)thiophen-3-yl]phenyl]cyclopropane-1-carboxylic acid

>  <XlogP>
6.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1C(C1C(=O)O)C2=CC=CC=C2C3=CSC(=C3)C4=CC=CC=C4OCC5=CC=CC=C5

>  <Isomeric SMILES>
C1C(C1C(=O)O)C2=CC=CC=C2C3=CSC(=C3)C4=CC=CC=C4OCC5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C27H22O3S/c28-27(29)24-15-23(24)21-11-5-4-10-20(21)19-14-26(31-17-19)22-12-6-7-13-25(22)30-16-18-8-2-1-3-9-18/h1-14,17,23-24H,15-16H2,(H,28,29)

>  <InChI Key>
DCYHRPUPJCRAGG-UHFFFAOYSA-N

