
 CHEMBL3800255

 60 62  0  0  0  0  0  0  0  0999 V2000
    1.3148   -0.0719   -0.7216 C   0  0  0  0  0
    2.5460   -0.1542    0.0896 C   0  0  0  0  0
    3.4366    0.7628    0.6094 C   0  0  0  0  0
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    4.1237   -1.3444    1.1461 N   0  0  0  0  0
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    5.3683    5.0794   -0.6713 O   0  0  0  0  0
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    5.3945    5.1993   -3.1161 C   0  0  0  0  0
    5.4616    6.7276   -3.1218 C   0  0  0  0  0
    6.0715    4.6327   -4.3629 C   0  0  0  0  0
    0.7123    4.9587    0.7737 C   0  0  0  0  0
   -0.0315    5.1372   -0.4357 O   0  0  0  0  0
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   -5.5445   -0.8049   -2.8357 O   0  0  0  0  0
   -1.4748    2.8295   -4.2500 F   0  0  0  0  0
    1.1727   -0.9808   -1.3145 H   0  0  0  0  0
    1.3531    0.7737   -1.4150 H   0  0  0  0  0
    0.4426    0.0510   -0.0725 H   0  0  0  0  0
    5.9802   -0.4010    2.6687 H   0  0  0  0  0
    5.4549    1.2833    2.5644 H   0  0  0  0  0
    6.4480    0.5808    1.2702 H   0  0  0  0  0
    1.2850    2.3113    1.0950 H   0  0  0  0  0
    3.0607    6.0324   -0.1437 H   0  0  0  0  0
    5.3813    2.4239   -0.2104 H   0  0  0  0  0
    6.0885    3.5237   -1.9111 H   0  0  0  0  0
    7.0785    4.9614   -1.7718 H   0  0  0  0  0
    4.3348    4.9160   -3.1373 H   0  0  0  0  0
    6.4987    7.0788   -3.0889 H   0  0  0  0  0
    4.9328    7.1506   -2.2617 H   0  0  0  0  0
    4.9971    7.1321   -4.0274 H   0  0  0  0  0
    7.1379    4.8821   -4.3848 H   0  0  0  0  0
    5.6109    5.0318   -5.2727 H   0  0  0  0  0
    5.9783    3.5418   -4.3928 H   0  0  0  0  0
    0.9280    5.9622    1.1613 H   0  0  0  0  0
    0.1338    4.4713    1.5656 H   0  0  0  0  0
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   -4.8081    1.4785   -2.2334 H   0  0  0  0  0
   -5.9473   -1.5220   -3.3702 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  6  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3  8  1  0  0  0
  4  5  2  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  7 36  1  0  0  0
  7 37  1  0  0  0
  7 38  1  0  0  0
  8 13  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 39  1  0  0  0
 10 11  2  0  0  0
 10 19  1  0  0  0
 11 12  1  0  0  0
 11 40  1  0  0  0
 12 13  2  0  0  0
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 13 41  1  0  0  0
 14 15  1  0  0  0
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 27 28  1  0  0  0
 27 56  1  0  0  0
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 28 29  1  0  0  0
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 29 31  1  0  0  0
 29 30  2  0  0  0
 31 60  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3800255

>  <PubChem CID>
127046662

>  <Formula>
C25H28FNO5

>  <Molecular Weight>
441.499000

>  <IUPAC Name>
3-[4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(2-methylpropoxy)phenyl]methoxy]-2-fluorophenyl]propanoic acid

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=C(C(=NO1)C)C2=CC(=CC(=C2)OCC(C)C)COC3=CC(=C(C=C3)CCC(=O)O)F

>  <Isomeric SMILES>
CC1=C(C(=NO1)C)C2=CC(=CC(=C2)OCC(C)C)COC3=CC(=C(C=C3)CCC(=O)O)F

>  <InChI Std. ID>
InChI=1S/C25H28FNO5/c1-15(2)13-30-22-10-18(9-20(11-22)25-16(3)27-32-17(25)4)14-31-21-7-5-19(23(26)12-21)6-8-24(28)29/h5,7,9-12,15H,6,8,13-14H2,1-4H3,(H,28,29)

>  <InChI Key>
BJMZEBLXIDSJDR-UHFFFAOYSA-N

