
 CHEMBL1081131

 55 58  0  0  0  0  0  0  0  0999 V2000
    7.6757    6.5011    6.6417 C   0  0  0  0  0
    9.0094    6.4482    6.1496 O   0  0  0  0  0
    9.1780    6.6762    4.8114 C   0  0  0  0  0
    8.1618    6.8748    3.8783 C   0  0  0  0  0
    8.4758    7.1193    2.5366 C   0  0  0  0  0
    9.8094    7.1627    2.1067 C   0  0  0  0  0
   10.8248    6.9506    3.0475 C   0  0  0  0  0
   10.5078    6.7077    4.3866 C   0  0  0  0  0
   10.1462    7.4792    0.6675 C   0  0  0  0  0
    9.5886    6.5092   -0.3129 C   0  0  0  0  0
    8.7804    6.6744   -1.4158 C   0  0  0  0  0
    8.5699    5.4800   -2.0543 N   0  0  0  0  0
    9.2308    4.5821   -1.3543 C   0  0  0  0  0
    9.8409    5.1614   -0.2693 N   0  0  0  0  0
    9.3441    3.1244   -1.6456 C   0  0  0  0  0
    8.1554    2.3232   -1.1097 C   0  0  0  0  0
    8.0223    2.3542    0.3952 C   0  0  0  0  0
    8.9640    1.7292    1.2150 C   0  0  0  0  0
    8.8239    1.7655    2.6070 C   0  0  0  0  0
    7.7490    2.4317    3.2266 C   0  0  0  0  0
    6.8241    3.0732    2.3889 C   0  0  0  0  0
    6.9507    3.0256    0.9950 C   0  0  0  0  0
    7.6336    2.4646    4.7058 C   0  0  0  0  0
    8.7815    2.7882    5.4639 C   0  0  0  0  0
    8.7605    2.8396    6.8614 C   0  0  0  0  0
    7.5811    2.5868    7.5490 C   0  0  0  0  0
    6.4246    2.2846    6.8360 C   0  0  0  0  0
    6.4457    2.2106    5.4299 C   0  0  0  0  0
    5.1505    1.8677    4.8054 C   0  0  0  0  0
    4.0794    2.3678    5.0866 O   0  0  0  0  0
    5.2600    0.8422    3.9478 O   0  0  0  0  0
    7.7111    6.3310    7.7222 H   0  0  0  0  0
    7.0589    5.7122    6.1997 H   0  0  0  0  0
    7.2322    7.4887    6.4754 H   0  0  0  0  0
    7.1140    6.8518    4.1584 H   0  0  0  0  0
    7.6675    7.2800    1.8254 H   0  0  0  0  0
   11.8710    6.9871    2.7527 H   0  0  0  0  0
   11.3053    6.5563    5.1100 H   0  0  0  0  0
   11.2357    7.5128    0.5365 H   0  0  0  0  0
    9.7846    8.4910    0.4447 H   0  0  0  0  0
    8.3490    7.5929   -1.7920 H   0  0  0  0  0
   10.3682    4.6732    0.4425 H   0  0  0  0  0
   10.2875    2.7344   -1.2440 H   0  0  0  0  0
    9.3947    2.9930   -2.7337 H   0  0  0  0  0
    8.2603    1.2757   -1.4206 H   0  0  0  0  0
    7.2276    2.6817   -1.5746 H   0  0  0  0  0
    9.8098    1.1997    0.7829 H   0  0  0  0  0
    9.5685    1.2511    3.2125 H   0  0  0  0  0
    5.9846    3.6235    2.8083 H   0  0  0  0  0
    6.2058    3.5273    0.3795 H   0  0  0  0  0
    9.7172    3.0290    4.9605 H   0  0  0  0  0
    9.6669    3.0929    7.4053 H   0  0  0  0  0
    7.5601    2.6304    8.6348 H   0  0  0  0  0
    5.4990    2.0931    7.3766 H   0  0  0  0  0
    4.3490    0.7010    3.6164 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 35  1  0  0  0
  5  6  2  0  0  0
  5 36  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 37  1  0  0  0
  8 38  1  0  0  0
  9 10  1  0  0  0
  9 39  1  0  0  0
  9 40  1  0  0  0
 10 11  2  0  0  0
 10 14  1  0  0  0
 11 12  1  0  0  0
 11 41  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 15  1  0  0  0
 14 42  1  0  0  0
 15 16  1  0  0  0
 15 43  1  0  0  0
 15 44  1  0  0  0
 16 17  1  0  0  0
 16 45  1  0  0  0
 16 46  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 47  1  0  0  0
 19 20  2  0  0  0
 19 48  1  0  0  0
 20 21  1  0  0  0
 20 23  1  0  0  0
 21 22  2  0  0  0
 21 49  1  0  0  0
 22 50  1  0  0  0
 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
 24 51  1  0  0  0
 25 26  2  0  0  0
 25 52  1  0  0  0
 26 27  1  0  0  0
 26 53  1  0  0  0
 27 28  2  0  0  0
 27 54  1  0  0  0
 28 29  1  0  0  0
 29 31  1  0  0  0
 29 30  2  0  0  0
 31 55  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1081131

>  <PubChem CID>
46881963

>  <Formula>
C26H24N2O3

>  <Molecular Weight>
412.489000

>  <IUPAC Name>
2-[4-[2-[5-[(4-methoxyphenyl)methyl]-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=CC=C(C=C1)CC2=CN=C(N2)CCC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

>  <Isomeric SMILES>
COC1=CC=C(C=C1)CC2=CN=C(N2)CCC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

>  <InChI Std. ID>
InChI=1S/C26H24N2O3/c1-31-22-13-8-19(9-14-22)16-21-17-27-25(28-21)15-10-18-6-11-20(12-7-18)23-4-2-3-5-24(23)26(29)30/h2-9,11-14,17H,10,15-16H2,1H3,(H,27,28)(H,29,30)

>  <InChI Key>
CXKIPYCVARNYCW-UHFFFAOYSA-N

