
 CHEMBL15517

 59 62  0  0  0  0  0  0  0  0999 V2000
    6.3497    0.0089   -0.4602 C   0  0  0  0  0
    4.9369    0.2452    0.0573 C   0  0  0  0  0
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    3.5594    2.4628    4.2282 N   0  0  0  0  0
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    7.4429    0.6259    5.0883 C   0  0  0  0  0
    3.5031    3.4157    6.4661 C   0  0  0  0  0
    6.3236   -0.2987   -1.5105 H   0  0  0  0  0
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    1.5048    0.4172    3.4368 H   0  0  0  0  0
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    2.5616    3.8226    6.0821 H   0  0  0  0  0
    4.1392    4.2550    6.7633 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  3  1  0  0  0
  2 37  1  0  0  0
  2 38  1  0  0  0
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  5 31  1  0  0  0
  5  6  2  0  0  0
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  9 14  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL15517

>  <PubChem CID>
15229605

>  <Formula>
C26H26ClN3O3

>  <Molecular Weight>
463.962000

>  <IUPAC Name>
2-[2-chloro-4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]-2-(2-methylphenyl)acetic acid

>  <XlogP>
6.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCC1=NC2=C(N1CC3=CC(=C(C=C3)OC(C4=CC=CC=C4C)C(=O)O)Cl)N=C(C=C2C)C

>  <Isomeric SMILES>
CCC1=NC2=C(N1CC3=CC(=C(C=C3)OC(C4=CC=CC=C4C)C(=O)O)Cl)N=C(C=C2C)C

>  <InChI Std. ID>
InChI=1S/C26H26ClN3O3/c1-5-22-29-23-16(3)12-17(4)28-25(23)30(22)14-18-10-11-21(20(27)13-18)33-24(26(31)32)19-9-7-6-8-15(19)2/h6-13,24H,5,14H2,1-4H3,(H,31,32)

>  <InChI Key>
APSWMQVSEDQAFN-UHFFFAOYSA-N

