
 CHEMBL123844

 52 55  0  0  0  0  0  0  0  0999 V2000
    9.2578   -4.1328   -5.4609 C   0  0  0  0  0
    9.8380   -3.1257   -4.6910 C   0  0  0  0  0
    9.0760   -2.4497   -3.7371 C   0  0  0  0  0
    7.7223   -2.7672   -3.5507 C   0  0  0  0  0
    7.1526   -3.7878   -4.3246 C   0  0  0  0  0
    7.9169   -4.4651   -5.2760 C   0  0  0  0  0
    6.9056   -2.0586   -2.4982 C   0  0  0  0  0
    7.1844   -2.6892   -1.2433 O   0  0  0  0  0
    6.4577   -2.1132   -0.2304 C   0  0  0  0  0
    7.0848   -1.0657    0.4575 C   0  0  0  0  0
    6.4405   -0.4429    1.5201 C   0  0  0  0  0
    5.1828   -0.8862    1.9122 C   0  0  0  0  0
    4.5724   -1.9548    1.2440 C   0  0  0  0  0
    5.1875   -2.6012    0.1510 C   0  0  0  0  0
    4.4908   -3.7116   -0.5534 C   0  0  0  0  0
    5.1839   -4.8289   -1.0429 C   0  0  0  0  0
    4.5380   -5.8174   -1.7854 C   0  0  0  0  0
    3.1723   -5.7169   -2.0418 C   0  0  0  0  0
    2.4171   -4.6482   -1.5353 C   0  0  0  0  0
    3.0965   -3.6724   -0.7804 C   0  0  0  0  0
    0.9514   -4.6018   -1.7489 C   0  0  0  0  0
    0.1974   -5.7349   -1.3663 C   0  0  0  0  0
   -1.1844   -5.8027   -1.5454 C   0  0  0  0  0
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   -1.1470   -3.5871   -2.4782 C   0  0  0  0  0
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    1.5399   -2.3939   -4.1921 C   0  0  0  0  0
    2.7266   -2.5943   -4.4123 O   0  0  0  0  0
    0.6406   -2.2504   -5.1974 O   0  0  0  0  0
    9.8513   -4.6618   -6.2016 H   0  0  0  0  0
   10.8855   -2.8717   -4.8297 H   0  0  0  0  0
    9.5439   -1.6769   -3.1315 H   0  0  0  0  0
    6.1073   -4.0606   -4.1862 H   0  0  0  0  0
    7.4644   -5.2541   -5.8707 H   0  0  0  0  0
    5.8381   -2.1186   -2.7443 H   0  0  0  0  0
    7.1905   -0.9985   -2.4698 H   0  0  0  0  0
    8.0786   -0.7421    0.1596 H   0  0  0  0  0
    6.9232    0.3756    2.0466 H   0  0  0  0  0
    4.6760   -0.4106    2.7486 H   0  0  0  0  0
    3.6021   -2.2901    1.6044 H   0  0  0  0  0
    6.2522   -4.9374   -0.8639 H   0  0  0  0  0
    5.1056   -6.6593   -2.1725 H   0  0  0  0  0
    2.6955   -6.4914   -2.6394 H   0  0  0  0  0
    2.5200   -2.8497   -0.3640 H   0  0  0  0  0
    0.6982   -6.5911   -0.9141 H   0  0  0  0  0
   -1.7276   -6.6955   -1.2478 H   0  0  0  0  0
   -2.9338   -4.7727   -2.2432 H   0  0  0  0  0
   -1.7066   -2.7566   -2.9035 H   0  0  0  0  0
    1.7136   -1.8993   -2.1332 H   0  0  0  0  0
    0.2278   -1.4121   -2.8375 H   0  0  0  0  0
   -0.2743   -2.1168   -4.8869 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  7  1  0  0  0
  5  6  2  0  0  0
  5 34  1  0  0  0
  6 35  1  0  0  0
  7  8  1  0  0  0
  7 36  1  0  0  0
  7 37  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 38  1  0  0  0
 11 12  2  0  0  0
 11 39  1  0  0  0
 12 13  1  0  0  0
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 13 14  2  0  0  0
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 14 15  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 42  1  0  0  0
 17 18  2  0  0  0
 17 43  1  0  0  0
 18 19  1  0  0  0
 18 44  1  0  0  0
 19 20  2  0  0  0
 19 21  1  0  0  0
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 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 46  1  0  0  0
 23 24  2  0  0  0
 23 47  1  0  0  0
 24 25  1  0  0  0
 24 48  1  0  0  0
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 26 27  1  0  0  0
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 28 30  1  0  0  0
 28 29  2  0  0  0
 30 52  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL123844

>  <PubChem CID>
44349531

>  <Formula>
C27H22O3

>  <Molecular Weight>
394.470000

>  <IUPAC Name>
2-[2-[3-(2-phenylmethoxyphenyl)phenyl]phenyl]acetic acid

>  <XlogP>
5.300

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC=C(C=C1)COC2=CC=CC=C2C3=CC=CC(=C3)C4=CC=CC=C4CC(=O)O

>  <Isomeric SMILES>
C1=CC=C(C=C1)COC2=CC=CC=C2C3=CC=CC(=C3)C4=CC=CC=C4CC(=O)O

>  <InChI Std. ID>
InChI=1S/C27H22O3/c28-27(29)18-23-11-4-5-14-24(23)21-12-8-13-22(17-21)25-15-6-7-16-26(25)30-19-20-9-2-1-3-10-20/h1-17H,18-19H2,(H,28,29)

>  <InChI Key>
AMSJJJTTZPVHKS-UHFFFAOYSA-N

