
 CHEMBL335142

 52 54  0  0  0  0  0  0  0  0999 V2000
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    2.0574   -9.5270   -2.4817 C   0  0  0  0  0
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    5.1939   -3.5700   -5.3886 H   0  0  0  0  0
    2.9998   -2.9760   -7.6269 H   0  0  0  0  0
    1.8869   -4.2201   -7.0533 H   0  0  0  0  0
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    1.7813   -8.4582   -7.2539 H   0  0  0  0  0
    0.3358   -1.4924   -5.4584 H   0  0  0  0  0
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  4  5  1  0  0  0
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  5  6  1  0  0  0
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  6  7  1  0  0  0
  6 39  1  0  0  0
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  7  8  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL335142

>  <PubChem CID>
10430946

>  <Formula>
C23H24ClNO3

>  <Molecular Weight>
397.899000

>  <IUPAC Name>
6-(7-chloro-4-phenylquinolin-2-yl)oxy-2,2-dimethylhexanoic acid

>  <XlogP>
6.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)(CCCCOC1=NC2=C(C=CC(=C2)Cl)C(=C1)C3=CC=CC=C3)C(=O)O

>  <Isomeric SMILES>
CC(C)(CCCCOC1=NC2=C(C=CC(=C2)Cl)C(=C1)C3=CC=CC=C3)C(=O)O

>  <InChI Std. ID>
InChI=1S/C23H24ClNO3/c1-23(2,22(26)27)12-6-7-13-28-21-15-19(16-8-4-3-5-9-16)18-11-10-17(24)14-20(18)25-21/h3-5,8-11,14-15H,6-7,12-13H2,1-2H3,(H,26,27)

>  <InChI Key>
DBLOTMYQCUTYMX-UHFFFAOYSA-N

