
 CHEMBL302973

 53 57  0  0  0  0  0  0  0  0999 V2000
    0.7697   -0.5843    4.5020 C   0  0  0  0  0
   -0.1942   -1.5033    4.1074 C   0  0  0  0  0
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    3.0371   -0.1061    0.2468 C   0  0  0  0  0
    4.1677    0.0975   -0.5531 C   0  0  0  0  0
    5.4524   -0.1210   -0.0393 C   0  0  0  0  0
    5.5801   -0.4948    1.3026 C   0  0  0  0  0
    4.4504   -0.7280    2.0874 C   0  0  0  0  0
    6.6672   -0.0248   -0.9311 C   0  0  0  0  0
    7.1936   -1.3470   -1.2397 N   0  0  0  0  0
    8.0515   -2.1687   -0.5206 C   0  0  0  0  0
    8.9108   -2.0639    0.6014 C   0  0  0  0  0
    9.4965   -3.2542    1.0930 C   0  0  0  0  0
    9.2745   -4.4900    0.4961 C   0  0  0  0  0
    8.4739   -4.5765   -0.6352 C   0  0  0  0  0
    7.8702   -3.4159   -1.1497 C   0  0  0  0  0
    7.0756   -3.3283   -2.2587 N   0  0  0  0  0
    6.7118   -2.0775   -2.3047 C   0  0  0  0  0
    5.9246   -1.5482   -3.2380 O   0  0  0  0  0
    5.4891   -2.4606   -4.2547 C   0  0  0  0  0
    4.3092   -3.3289   -3.8386 C   0  0  0  0  0
    3.4544   -3.4834   -4.8834 F   0  0  0  0  0
    4.6696   -4.5695   -3.4490 F   0  0  0  0  0
    3.5815   -2.7849   -2.8351 F   0  0  0  0  0
    9.2968   -0.8381    1.3280 C   0  0  0  0  0
    9.7112   -0.7992    2.4706 O   0  0  0  0  0
    9.2466    0.2780    0.5905 O   0  0  0  0  0
    1.0443   -2.5757    0.7452 C   0  0  0  0  0
    2.1190   -3.2217    0.2650 N   0  0  0  0  0
    1.6416   -3.6279   -0.9186 N   0  0  0  0  0
    0.3514   -3.3573   -1.1560 N   0  0  0  0  0
   -0.0477   -2.6810   -0.0877 N   0  0  0  0  0
    0.6950   -0.0966    5.4704 H   0  0  0  0  0
   -1.0258   -1.7406    4.7655 H   0  0  0  0  0
   -0.8465   -2.8500    2.5707 H   0  0  0  0  0
    2.5751    0.4433    3.9831 H   0  0  0  0  0
    2.0524    0.0525   -0.1894 H   0  0  0  0  0
    4.0272    0.3932   -1.5907 H   0  0  0  0  0
    6.5557   -0.6564    1.7491 H   0  0  0  0  0
    4.5896   -1.0823    3.1070 H   0  0  0  0  0
    7.4258    0.6100   -0.4907 H   0  0  0  0  0
    6.4111    0.4642   -1.8795 H   0  0  0  0  0
   10.1491   -3.2118    1.9657 H   0  0  0  0  0
    9.7359   -5.3854    0.9065 H   0  0  0  0  0
    8.2985   -5.5321   -1.1233 H   0  0  0  0  0
    6.3183   -3.0678   -4.6398 H   0  0  0  0  0
    5.1696   -1.8293   -5.0916 H   0  0  0  0  0
    9.5671    0.9694    1.2094 H   0  0  0  0  0
    2.2273   -4.0963   -1.6053 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 37  1  0  0  0
  2  3  1  0  0  0
  2 38  1  0  0  0
  3  4  2  0  0  0
  3 39  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 40  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 41  1  0  0  0
  9 10  2  0  0  0
  9 42  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 43  1  0  0  0
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 14 22  1  0  0  0
 14 15  1  0  0  0
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 19 49  1  0  0  0
 20 21  1  0  0  0
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 23 24  1  0  0  0
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 24 50  1  0  0  0
 24 51  1  0  0  0
 25 28  1  0  0  0
 25 27  1  0  0  0
 25 26  1  0  0  0
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 29 30  2  0  0  0
 31 52  1  0  0  0
 32 33  2  0  0  0
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 35 36  2  0  0  0
M  END

>  <Chemical Name>
CHEMBL302973

>  <PubChem CID>
15654757

>  <Formula>
C24H17F3N6O3

>  <Molecular Weight>
494.434000

>  <IUPAC Name>
3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(2,2,2-trifluoroethoxy)benzimidazole-4-carboxylic acid

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
C1=CC=C(C(=C1)C2=CC=C(C=C2)CN3C4=C(C=CC=C4N=C3OCC(F)(F)F)C(=O)O)C5=NNN=N5

>  <Isomeric SMILES>
C1=CC=C(C(=C1)C2=CC=C(C=C2)CN3C4=C(C=CC=C4N=C3OCC(F)(F)F)C(=O)O)C5=NNN=N5

>  <InChI Std. ID>
InChI=1S/C24H17F3N6O3/c25-24(26,27)13-36-23-28-19-7-3-6-18(22(34)35)20(19)33(23)12-14-8-10-15(11-9-14)16-4-1-2-5-17(16)21-29-31-32-30-21/h1-11H,12-13H2,(H,34,35)(H,29,30,31,32)

>  <InChI Key>
CAOCTFFZCLXQQI-UHFFFAOYSA-N

