
 CHEMBL265291

 71 76  0  0  0  0  0  0  0  0999 V2000
    4.2046   -1.5048    3.2429 C   0  0  0  0  0
    3.7996   -0.7858    1.9673 C   0  0  0  0  0
    4.3913    0.6232    1.8924 C   0  0  0  0  0
    3.9423    1.3240    0.6117 C   0  0  0  0  0
    4.5987    2.6548    0.4280 C   0  0  0  0  0
    5.8028    2.8138   -0.1018 N   0  0  0  0  0
    5.9635    4.1522   -0.1844 C   0  0  0  0  0
    4.8741    4.8513    0.2540 C   0  0  0  0  0
    4.0224    3.8833    0.7342 N   0  0  0  0  0
    2.7497    4.1211    1.4045 C   0  0  0  0  0
    2.8870    4.2200    2.9080 C   0  0  0  0  0
    3.7542    5.1460    3.5025 C   0  0  0  0  0
    3.8627    5.2438    4.8912 C   0  0  0  0  0
    3.0913    4.4373    5.7383 C   0  0  0  0  0
    2.1960    3.5348    5.1447 C   0  0  0  0  0
    2.0994    3.4224    3.7500 C   0  0  0  0  0
    3.2171    4.5769    7.2031 C   0  0  0  0  0
    2.9186    5.8379    7.7703 C   0  0  0  0  0
    3.0292    6.0754    9.1412 C   0  0  0  0  0
    3.4326    5.0519    9.9856 C   0  0  0  0  0
    3.7221    3.7947    9.4567 C   0  0  0  0  0
    3.6281    3.5377    8.0713 C   0  0  0  0  0
    3.9907    2.2010    7.6062 C   0  0  0  0  0
    3.8087    1.0795    8.3320 N   0  0  0  0  0
    4.3136    0.1677    7.4901 N   0  0  0  0  0
    4.7906    0.6337    6.3345 N   0  0  0  0  0
    4.5985    1.9424    6.3991 N   0  0  0  0  0
    4.7821    6.2878    0.1996 C   0  0  0  0  0
    3.7794    6.9072    0.5467 O   0  0  0  0  0
    5.9515    6.9202   -0.2872 N   0  0  0  0  0
    7.0647    6.1821   -0.7243 C   0  0  0  0  0
    7.0882    4.8365   -0.6868 C   0  0  0  0  0
    5.9235    8.3920   -0.4128 C   0  0  0  0  0
    7.0282    9.0815    0.3828 C   0  0  0  0  0
    8.2786    9.4056   -0.1658 C   0  0  0  0  0
    9.2614   10.0227    0.6128 C   0  0  0  0  0
    9.0095   10.3264    1.9490 C   0  0  0  0  0
    7.7776   10.0071    2.5122 C   0  0  0  0  0
    6.7973    9.3832    1.7386 C   0  0  0  0  0
    5.8448    8.8001   -1.8900 C   0  0  0  0  0
    6.5750    8.4368   -2.8021 O   0  0  0  0  0
    4.8281    9.6519   -2.1589 O   0  0  0  0  0
    3.8192   -0.9820    4.1227 H   0  0  0  0  0
    5.2937   -1.5732    3.3283 H   0  0  0  0  0
    3.7984   -2.5210    3.2489 H   0  0  0  0  0
    2.7056   -0.7346    1.9168 H   0  0  0  0  0
    4.1354   -1.3737    1.1047 H   0  0  0  0  0
    5.4868    0.5623    1.9235 H   0  0  0  0  0
    4.0823    1.2057    2.7682 H   0  0  0  0  0
    2.8517    1.4076    0.5885 H   0  0  0  0  0
    4.2108    0.7011   -0.2516 H   0  0  0  0  0
    2.0682    3.3128    1.1238 H   0  0  0  0  0
    2.3046    5.0377    1.0062 H   0  0  0  0  0
    4.3657    5.8102    2.9000 H   0  0  0  0  0
    4.5666    5.9611    5.3096 H   0  0  0  0  0
    1.5682    2.9009    5.7678 H   0  0  0  0  0
    1.4002    2.7007    3.3334 H   0  0  0  0  0
    2.5910    6.6553    7.1284 H   0  0  0  0  0
    2.8003    7.0591    9.5429 H   0  0  0  0  0
    3.5258    5.2278   11.0545 H   0  0  0  0  0
    4.0430    3.0054   10.1359 H   0  0  0  0  0
    4.3365   -0.8228    7.7155 H   0  0  0  0  0
    7.9139    6.7335   -1.1152 H   0  0  0  0  0
    7.9440    4.2717   -1.0326 H   0  0  0  0  0
    4.9809    8.7561    0.0175 H   0  0  0  0  0
    8.5134    9.1780   -1.2041 H   0  0  0  0  0
   10.2271   10.2642    0.1758 H   0  0  0  0  0
    9.7755   10.8077    2.5516 H   0  0  0  0  0
    7.5798   10.2403    3.5555 H   0  0  0  0  0
    5.8426    9.1350    2.2015 H   0  0  0  0  0
    4.8764    9.7871   -3.1274 H   0  0  0  0  0
  1  2  1  0  0  0
  1 43  1  0  0  0
  1 44  1  0  0  0
  1 45  1  0  0  0
  2  3  1  0  0  0
  2 46  1  0  0  0
  2 47  1  0  0  0
  3  4  1  0  0  0
  3 48  1  0  0  0
  3 49  1  0  0  0
  4  5  1  0  0  0
  4 50  1  0  0  0
  4 51  1  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
  6  7  1  0  0  0
  7 32  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 28  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
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 10 53  1  0  0  0
 11 12  2  0  0  0
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 17 22  1  0  0  0
 18 19  1  0  0  0
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 19 20  2  0  0  0
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 20 21  1  0  0  0
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 22 23  1  0  0  0
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 23 27  1  0  0  0
 24 25  1  0  0  0
 25 26  1  0  0  0
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 30 33  1  0  0  0
 31 32  2  0  0  0
 31 63  1  0  0  0
 32 64  1  0  0  0
 33 40  1  0  0  0
 33 34  1  0  0  0
 33 65  1  0  0  0
 34 35  2  0  0  0
 34 39  1  0  0  0
 35 36  1  0  0  0
 35 66  1  0  0  0
 36 37  2  0  0  0
 36 67  1  0  0  0
 37 38  1  0  0  0
 37 68  1  0  0  0
 38 39  2  0  0  0
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 40 42  1  0  0  0
 40 41  2  0  0  0
 42 71  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL265291

>  <PubChem CID>
44323448

>  <Formula>
C32H29N7O3

>  <Molecular Weight>
559.630000

>  <IUPAC Name>
2-[2-butyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]-2-phenylacetic acid

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)N(C=C2)C(C6=CC=CC=C6)C(=O)O

>  <Isomeric SMILES>
CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)N(C=C2)C(C6=CC=CC=C6)C(=O)O

>  <InChI Std. ID>
InChI=1S/C32H29N7O3/c1-2-3-13-27-33-26-18-19-38(28(32(41)42)23-9-5-4-6-10-23)31(40)29(26)39(27)20-21-14-16-22(17-15-21)24-11-7-8-12-25(24)30-34-36-37-35-30/h4-12,14-19,28H,2-3,13,20H2,1H3,(H,41,42)(H,34,35,36,37)

>  <InChI Key>
BFESIDDMKNAESA-UHFFFAOYSA-N

