
 CHEMBL3780713

 46 49  0  0  0  0  0  0  0  0999 V2000
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    7.6298    0.3130   -1.1403 H   0  0  0  0  0
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   -3.6935   -1.9524   -1.8866 H   0  0  0  0  0
   -7.2203   -3.1820   -1.6482 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3780713

>  <PubChem CID>
127033820

>  <Formula>
C21H18ClNO4S

>  <Molecular Weight>
415.888000

>  <IUPAC Name>
2-[6-[[2-(3-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=C(SC(=N1)C2=CC(=CC=C2)Cl)COC3=CC4=C(C=C3)C(CO4)CC(=O)O

>  <Isomeric SMILES>
CC1=C(SC(=N1)C2=CC(=CC=C2)Cl)COC3=CC4=C(C=C3)C(CO4)CC(=O)O

>  <InChI Std. ID>
InChI=1S/C21H18ClNO4S/c1-12-19(28-21(23-12)13-3-2-4-15(22)7-13)11-26-16-5-6-17-14(8-20(24)25)10-27-18(17)9-16/h2-7,9,14H,8,10-11H2,1H3,(H,24,25)

>  <InChI Key>
ANKBTKFKNQIIQO-UHFFFAOYSA-N

