
 CHEMBL15730

 59 62  0  0  0  0  0  0  0  0999 V2000
   -1.0117    5.7347    4.7051 C   0  0  0  0  0
    0.0301    4.6255    4.7030 C   0  0  0  0  0
    1.1796    4.9715    3.8156 C   0  0  0  0  0
    2.2315    5.6773    4.1944 N   0  0  0  0  0
    3.0025    5.8333    3.0690 C   0  0  0  0  0
    2.4090    5.2101    1.9818 C   0  0  0  0  0
    1.2745    4.6256    2.4829 N   0  0  0  0  0
    0.3282    3.8586    1.6915 C   0  0  0  0  0
    0.5595    2.3673    1.7832 C   0  0  0  0  0
    1.7906    1.7994    1.4255 C   0  0  0  0  0
    1.9905    0.4101    1.4485 C   0  0  0  0  0
    0.9254   -0.4391    1.7967 C   0  0  0  0  0
   -0.3036    0.1214    2.1551 C   0  0  0  0  0
   -0.4837    1.5090    2.1503 C   0  0  0  0  0
    1.1853   -1.7778    1.6950 O   0  0  0  0  0
    0.2068   -2.7353    2.1239 C   0  0  0  0  0
   -0.8573   -3.0258    1.0667 C   0  0  0  0  0
   -0.7595   -2.5458   -0.2500 C   0  0  0  0  0
   -1.7676   -2.8026   -1.1816 C   0  0  0  0  0
   -2.8794   -3.5580   -0.8188 C   0  0  0  0  0
   -2.9855   -4.0580    0.4763 C   0  0  0  0  0
   -1.9855   -3.7913    1.4135 C   0  0  0  0  0
    0.9958   -3.9917    2.5160 C   0  0  0  0  0
    0.8563   -5.1353    2.1069 O   0  0  0  0  0
    1.9102   -3.7558    3.4882 O   0  0  0  0  0
    3.3240   -0.1454    1.0257 C   0  0  0  0  0
    2.8485    5.1713    0.7092 N   0  0  0  0  0
    4.0135    5.8391    0.5318 C   0  0  0  0  0
    4.7132    6.4954    1.5516 C   0  0  0  0  0
    4.2205    6.5009    2.8692 C   0  0  0  0  0
    4.9605    7.2162    3.9554 C   0  0  0  0  0
    4.5656    5.8615   -0.8655 C   0  0  0  0  0
   -1.8329    5.4852    5.3840 H   0  0  0  0  0
   -1.4316    5.8888    3.7053 H   0  0  0  0  0
   -0.5768    6.6854    5.0333 H   0  0  0  0  0
   -0.4326    3.6796    4.4061 H   0  0  0  0  0
    0.4024    4.4831    5.7244 H   0  0  0  0  0
    0.4007    4.1785    0.6456 H   0  0  0  0  0
   -0.6778    4.1279    2.0312 H   0  0  0  0  0
    2.6104    2.4436    1.1063 H   0  0  0  0  0
   -1.1618   -0.4928    2.4110 H   0  0  0  0  0
   -1.4612    1.9079    2.4128 H   0  0  0  0  0
   -0.2861   -2.4006    3.0469 H   0  0  0  0  0
    0.1000   -1.9575   -0.5647 H   0  0  0  0  0
   -1.6811   -2.4130   -2.1928 H   0  0  0  0  0
   -3.6593   -3.7627   -1.5476 H   0  0  0  0  0
   -3.8451   -4.6612    0.7563 H   0  0  0  0  0
   -2.0870   -4.1997    2.4170 H   0  0  0  0  0
    2.3351   -4.6264    3.6295 H   0  0  0  0  0
    4.1142    0.6068    1.1265 H   0  0  0  0  0
    3.2812   -0.4660   -0.0199 H   0  0  0  0  0
    3.6150   -0.9944    1.6527 H   0  0  0  0  0
    5.6445    7.0073    1.3232 H   0  0  0  0  0
    6.0182    6.9336    3.9460 H   0  0  0  0  0
    4.5576    6.9655    4.9418 H   0  0  0  0  0
    4.8792    8.2984    3.8147 H   0  0  0  0  0
    4.6493    6.8930   -1.2215 H   0  0  0  0  0
    3.9096    5.3169   -1.5524 H   0  0  0  0  0
    5.5524    5.3892   -0.8898 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
  2 36  1  0  0  0
  2 37  1  0  0  0
  3  4  2  0  0  0
  3  7  1  0  0  0
  4  5  1  0  0  0
  5 30  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 27  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 38  1  0  0  0
  8 39  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 40  1  0  0  0
 11 12  2  0  0  0
 11 26  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 41  1  0  0  0
 14 42  1  0  0  0
 15 16  1  0  0  0
 16 23  1  0  0  0
 16 17  1  0  0  0
 16 43  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 44  1  0  0  0
 19 20  2  0  0  0
 19 45  1  0  0  0
 20 21  1  0  0  0
 20 46  1  0  0  0
 21 22  2  0  0  0
 21 47  1  0  0  0
 22 48  1  0  0  0
 23 25  1  0  0  0
 23 24  2  0  0  0
 25 49  1  0  0  0
 26 50  1  0  0  0
 26 51  1  0  0  0
 26 52  1  0  0  0
 27 28  2  0  0  0
 28 29  1  0  0  0
 28 32  1  0  0  0
 29 30  2  0  0  0
 29 53  1  0  0  0
 30 31  1  0  0  0
 31 54  1  0  0  0
 31 55  1  0  0  0
 31 56  1  0  0  0
 32 57  1  0  0  0
 32 58  1  0  0  0
 32 59  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL15730

>  <PubChem CID>
19385623

>  <Formula>
C26H27N3O3

>  <Molecular Weight>
429.520000

>  <IUPAC Name>
2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-methylphenoxy]-2-phenylacetic acid

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

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

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

>  <InChI Std. ID>
InChI=1S/C26H27N3O3/c1-5-22-28-23-17(3)13-18(4)27-25(23)29(22)15-19-11-12-21(16(2)14-19)32-24(26(30)31)20-9-7-6-8-10-20/h6-14,24H,5,15H2,1-4H3,(H,30,31)

>  <InChI Key>
ARHOSMNWKKLMPB-UHFFFAOYSA-N

