
 CHEMBL1087933

 51 54  0  0  0  0  0  0  0  0999 V2000
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   -1.1659   -1.7452    1.6512 C   0  0  0  0  0
   -0.8358   -2.0046    0.3242 C   0  0  0  0  0
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    2.7770   -0.6935    0.2203 C   0  0  0  0  0
    3.0116    0.0667   -0.9363 C   0  0  0  0  0
    4.3112    0.4155   -1.3289 C   0  0  0  0  0
    5.4146    0.0383   -0.5568 C   0  0  0  0  0
    5.1929   -0.6819    0.6202 C   0  0  0  0  0
    3.8968   -1.0508    0.9935 C   0  0  0  0  0
    6.8211    0.3773   -0.9921 C   0  0  0  0  0
    7.6091   -0.8766   -1.3828 C   0  0  0  0  0
    8.9549   -0.5307   -1.9211 C   0  0  0  0  0
    9.9800   -0.0595   -1.2431 N   0  0  0  0  0
   10.9947    0.0816   -2.1533 C   0  0  0  0  0
   10.5840   -0.2972   -3.4122 C   0  0  0  0  0
    9.2807   -0.6927   -3.2443 N   0  0  0  0  0
   11.2810   -0.3173   -4.7248 C   0  0  0  0  0
   11.8293   -1.6815   -5.0756 C   0  0  0  0  0
   11.0538   -2.6015   -5.7979 C   0  0  0  0  0
   11.5598   -3.8669   -6.1051 C   0  0  0  0  0
   12.8424   -4.2197   -5.6913 C   0  0  0  0  0
   13.6226   -3.3201   -4.9692 C   0  0  0  0  0
   13.1157   -2.0562   -4.6582 C   0  0  0  0  0
   13.4656   -5.7772   -6.0743 Cl  0  0  0  0  0
    0.7273   -2.0680   -1.5848 C   0  0  0  0  0
    1.7567   -2.5216   -2.0399 O   0  0  0  0  0
   -0.3424   -1.8463   -2.3767 O   0  0  0  0  0
   -0.4742   -0.9499    3.5256 H   0  0  0  0  0
   -2.1497   -2.0089    2.0314 H   0  0  0  0  0
   -1.5750   -2.4789   -0.3185 H   0  0  0  0  0
    1.7403   -0.3420    2.6707 H   0  0  0  0  0
    2.1810    0.3907   -1.5595 H   0  0  0  0  0
    4.4484    0.9807   -2.2479 H   0  0  0  0  0
    6.0289   -0.9743    1.2524 H   0  0  0  0  0
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    7.3267    0.9130   -0.1779 H   0  0  0  0  0
    6.7896    1.0771   -1.8377 H   0  0  0  0  0
    7.0467   -1.4583   -2.1245 H   0  0  0  0  0
    7.7422   -1.5306   -0.5122 H   0  0  0  0  0
   11.9669    0.4511   -1.8531 H   0  0  0  0  0
    8.6656   -1.0529   -3.9605 H   0  0  0  0  0
   12.1008    0.4127   -4.7220 H   0  0  0  0  0
   10.5980    0.0165   -5.5167 H   0  0  0  0  0
   10.0516   -2.3394   -6.1280 H   0  0  0  0  0
   10.9504   -4.5713   -6.6647 H   0  0  0  0  0
   14.6216   -3.5957   -4.6424 H   0  0  0  0  0
   13.7300   -1.3647   -4.0849 H   0  0  0  0  0
   -0.0377   -2.1326   -3.2628 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  3  4  2  0  0  0
  3 33  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 34  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 35  1  0  0  0
  9 10  2  0  0  0
  9 36  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 37  1  0  0  0
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 21 22  2  0  0  0
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 22 23  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1087933

>  <PubChem CID>
46881509

>  <Formula>
C25H21ClN2O2

>  <Molecular Weight>
416.905000

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

>  <XlogP>
6.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC=C(C(=C1)C2=CC=C(C=C2)CCC3=NC=C(N3)CC4=CC=C(C=C4)Cl)C(=O)O

>  <Isomeric SMILES>
C1=CC=C(C(=C1)C2=CC=C(C=C2)CCC3=NC=C(N3)CC4=CC=C(C=C4)Cl)C(=O)O

>  <InChI Std. ID>
InChI=1S/C25H21ClN2O2/c26-20-12-7-18(8-13-20)15-21-16-27-24(28-21)14-9-17-5-10-19(11-6-17)22-3-1-2-4-23(22)25(29)30/h1-8,10-13,16H,9,14-15H2,(H,27,28)(H,29,30)

>  <InChI Key>
DXQXSWQHJWEHDS-UHFFFAOYSA-N

