
 CHEMBL37566

 56 59  0  0  0  0  0  0  0  0999 V2000
    9.0865    2.1278   -1.5031 C   0  0  0  0  0
    8.9199    1.8592   -0.0160 C   0  0  0  0  0
    8.5334    0.4030    0.2577 C   0  0  0  0  0
    8.4127    0.1503    1.7276 C   0  0  0  0  0
    9.4123    0.2918    2.5829 N   0  0  0  0  0
    8.9028   -0.0199    3.8170 C   0  0  0  0  0
    9.5070   -0.0463    5.0855 C   0  0  0  0  0
    8.6857   -0.4559    6.1495 C   0  0  0  0  0
    7.3482   -0.7593    5.9148 C   0  0  0  0  0
    6.7248   -0.7072    4.7160 N   0  0  0  0  0
    7.5600   -0.3523    3.7175 C   0  0  0  0  0
    7.2653   -0.2600    2.3788 N   0  0  0  0  0
    5.9441   -0.4879    1.8166 C   0  0  0  0  0
    5.7036   -1.9354    1.4531 C   0  0  0  0  0
    5.5865   -2.9077    2.4566 C   0  0  0  0  0
    5.3380   -4.2455    2.1451 C   0  0  0  0  0
    5.1519   -4.6317    0.8230 C   0  0  0  0  0
    5.2916   -3.6808   -0.1894 C   0  0  0  0  0
    5.5623   -2.3413    0.1199 C   0  0  0  0  0
    4.8851   -5.9097    0.4165 O   0  0  0  0  0
    3.9838   -6.6789    1.2322 C   0  0  0  0  0
    2.5395   -6.2511    0.9881 C   0  0  0  0  0
    1.9393   -6.3683   -0.2828 C   0  0  0  0  0
    0.6257   -5.9355   -0.5103 C   0  0  0  0  0
   -0.1176   -5.3682    0.5178 C   0  0  0  0  0
    0.4480   -5.2489    1.7812 C   0  0  0  0  0
    1.7564   -5.6923    2.0193 C   0  0  0  0  0
    2.3275   -5.5188    3.6441 Cl  0  0  0  0  0
    2.7624   -7.0463   -1.6452 Cl  0  0  0  0  0
    4.2159   -8.1765    0.9812 C   0  0  0  0  0
    5.1476   -8.6979    0.3879 O   0  0  0  0  0
    3.3003   -8.9691    1.5891 O   0  0  0  0  0
   10.9456    0.2917    5.3224 C   0  0  0  0  0
    9.3821    3.1689   -1.6687 H   0  0  0  0  0
    8.1501    1.9502   -2.0411 H   0  0  0  0  0
    9.8600    1.4840   -1.9339 H   0  0  0  0  0
    8.1561    2.5336    0.3903 H   0  0  0  0  0
    9.8601    2.1031    0.4947 H   0  0  0  0  0
    9.3083   -0.2630   -0.1410 H   0  0  0  0  0
    7.6111    0.1606   -0.2769 H   0  0  0  0  0
    9.0848   -0.5332    7.1564 H   0  0  0  0  0
    6.7118   -1.0750    6.7391 H   0  0  0  0  0
    5.8185    0.1703    0.9509 H   0  0  0  0  0
    5.1984   -0.1620    2.5519 H   0  0  0  0  0
    5.6915   -2.6371    3.5051 H   0  0  0  0  0
    5.3132   -4.9541    2.9652 H   0  0  0  0  0
    5.1776   -3.9825   -1.2282 H   0  0  0  0  0
    5.6492   -1.6236   -0.6927 H   0  0  0  0  0
    4.2707   -6.5889    2.2821 H   0  0  0  0  0
    0.1781   -6.0356   -1.4970 H   0  0  0  0  0
   -1.1326   -5.0232    0.3362 H   0  0  0  0  0
   -0.1366   -4.8064    2.5856 H   0  0  0  0  0
    3.6107   -9.8759    1.3782 H   0  0  0  0  0
   11.0484    0.9185    6.2149 H   0  0  0  0  0
   11.3645    0.8485    4.4780 H   0  0  0  0  0
   11.5289   -0.6243    5.4613 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
  3  4  1  0  0  0
  3 39  1  0  0  0
  3 40  1  0  0  0
  4 12  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  6 11  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 33  1  0  0  0
  8  9  2  0  0  0
  8 41  1  0  0  0
  9 10  1  0  0  0
  9 42  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 43  1  0  0  0
 13 44  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 45  1  0  0  0
 16 17  2  0  0  0
 16 46  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  2  0  0  0
 18 47  1  0  0  0
 19 48  1  0  0  0
 20 21  1  0  0  0
 21 30  1  0  0  0
 21 22  1  0  0  0
 21 49  1  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
 23 29  1  0  0  0
 24 25  2  0  0  0
 24 50  1  0  0  0
 25 26  1  0  0  0
 25 51  1  0  0  0
 26 27  2  0  0  0
 26 52  1  0  0  0
 27 28  1  0  0  0
 30 32  1  0  0  0
 30 31  2  0  0  0
 32 53  1  0  0  0
 33 54  1  0  0  0
 33 55  1  0  0  0
 33 56  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL37566

>  <PubChem CID>
15287886

>  <Formula>
C25H23Cl2N3O3

>  <Molecular Weight>
484.377000

>  <IUPAC Name>
2-(2,6-dichlorophenyl)-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]acetic acid

>  <XlogP>
6.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCC1=NC2=C(C=CN=C2N1CC3=CC=C(C=C3)OC(C4=C(C=CC=C4Cl)Cl)C(=O)O)C

>  <Isomeric SMILES>
CCCC1=NC2=C(C=CN=C2N1CC3=CC=C(C=C3)OC(C4=C(C=CC=C4Cl)Cl)C(=O)O)C

>  <InChI Std. ID>
InChI=1S/C25H23Cl2N3O3/c1-3-5-20-29-22-15(2)12-13-28-24(22)30(20)14-16-8-10-17(11-9-16)33-23(25(31)32)21-18(26)6-4-7-19(21)27/h4,6-13,23H,3,5,14H2,1-2H3,(H,31,32)

>  <InChI Key>
AJGGEXGEYWLKKM-UHFFFAOYSA-N

