
 CHEMBL1951555

 60 62  0  0  0  0  0  0  0  0999 V2000
    7.9624   -0.5618    0.5506 C   0  0  0  0  0
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   10.7132    8.1798   -3.3134 O   0  0  0  0  0
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    8.5674    0.0891    1.1927 H   0  0  0  0  0
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    6.5656    0.2755    2.7780 H   0  0  0  0  0
    6.1785   -1.4228    2.4540 H   0  0  0  0  0
    4.9480   -0.1693    2.2322 H   0  0  0  0  0
    7.0988    1.7799    0.4808 H   0  0  0  0  0
    3.0018    3.4964    0.1152 H   0  0  0  0  0
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   11.6117    8.0844   -2.9329 H   0  0  0  0  0
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  1  2  1  0  0  0
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  5  6  1  0  0  0
  5 46  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1951555

>  <PubChem CID>
57391799

>  <Formula>
C25H24Cl2N2O6S

>  <Molecular Weight>
551.435000

>  <IUPAC Name>
2-[4-[4-(tert-butylcarbamoyl)-2-[(4-chlorophenyl)sulfonylamino]phenoxy]-3-chlorophenyl]acetic acid

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC(C)(C)NC(=O)C1=CC(=C(C=C1)OC2=C(C=C(C=C2)CC(=O)O)Cl)NS(=O)(=O)C3=CC=C(C=C3)Cl

>  <Isomeric SMILES>
CC(C)(C)NC(=O)C1=CC(=C(C=C1)OC2=C(C=C(C=C2)CC(=O)O)Cl)NS(=O)(=O)C3=CC=C(C=C3)Cl

>  <InChI Std. ID>
InChI=1S/C25H24Cl2N2O6S/c1-25(2,3)28-24(32)16-5-11-22(35-21-10-4-15(12-19(21)27)13-23(30)31)20(14-16)29-36(33,34)18-8-6-17(26)7-9-18/h4-12,14,29H,13H2,1-3H3,(H,28,32)(H,30,31)

>  <InChI Key>
AKAKGASYSHTKEO-UHFFFAOYSA-N

