
 CHEMBL3288357

 50 52  0  0  0  0  0  0  0  0999 V2000
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    2.0447    0.4394    0.0021 C   0  0  0  0  0
    2.9271   -0.6534   -0.2175 C   0  0  0  0  0
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    4.8028    0.9188   -0.1010 C   0  0  0  0  0
    3.9254    1.9789    0.0911 C   0  0  0  0  0
    2.5568    1.7425    0.1342 C   0  0  0  0  0
    5.3412   -1.4831   -0.4963 C   0  0  0  0  0
    2.4069   -2.0267   -0.4191 C   0  0  0  0  0
    2.7275   -3.0728    0.4669 C   0  0  0  0  0
    2.3049   -4.3893    0.2228 C   0  0  0  0  0
    1.4739   -4.6437   -0.8766 C   0  0  0  0  0
    1.1268   -3.6184   -1.7516 C   0  0  0  0  0
    1.6095   -2.3280   -1.5362 C   0  0  0  0  0
    2.7657   -5.5363    1.0938 C   0  0  0  0  0
    1.9885   -5.5776    2.2875 O   0  0  0  0  0
    2.0167   -6.8082    2.9138 C   0  0  0  0  0
    2.5838   -7.8683    2.2993 N   0  0  0  0  0
    2.4804   -9.0658    2.9175 C   0  0  0  0  0
    1.8471   -9.2607    4.1394 C   0  0  0  0  0
    1.3072   -8.1350    4.7671 C   0  0  0  0  0
    1.3860   -6.8907    4.1442 C   0  0  0  0  0
    1.7436  -10.6351    4.7485 C   0  0  0  0  0
    2.9980  -10.9949    5.5229 C   0  0  0  0  0
    2.9370  -12.4343    5.9218 C   0  0  0  0  0
    2.7700  -12.8699    7.0480 O   0  0  0  0  0
    3.1336  -13.2715    4.8850 O   0  0  0  0  0
    0.6815  -10.7228    5.6062 F   0  0  0  0  0
    0.1350    0.1912   -0.9495 H   0  0  0  0  0
    0.0715    1.1266    0.5508 H   0  0  0  0  0
    0.2699   -0.6150    0.6438 H   0  0  0  0  0
    5.8716    1.1204   -0.1294 H   0  0  0  0  0
    4.3082    2.9895    0.2051 H   0  0  0  0  0
    1.8832    2.5848    0.2779 H   0  0  0  0  0
    5.0210   -2.1726   -1.2832 H   0  0  0  0  0
    5.5105   -2.0347    0.4338 H   0  0  0  0  0
    6.3026   -1.0684   -0.8188 H   0  0  0  0  0
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    1.1112   -5.6516   -1.0684 H   0  0  0  0  0
    0.4982   -3.8274   -2.6129 H   0  0  0  0  0
    1.3611   -1.5477   -2.2528 H   0  0  0  0  0
    3.8233   -5.3996    1.3520 H   0  0  0  0  0
    2.6814   -6.4525    0.4965 H   0  0  0  0  0
    2.9252   -9.8931    2.3700 H   0  0  0  0  0
    0.8035   -8.2270    5.7273 H   0  0  0  0  0
    0.9494   -6.0092    4.5999 H   0  0  0  0  0
    1.5429  -11.3598    3.9505 H   0  0  0  0  0
    3.0807  -10.3935    6.4353 H   0  0  0  0  0
    3.9145  -10.8353    4.9433 H   0  0  0  0  0
    3.0977  -14.1643    5.2936 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3  9  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  6  7  2  0  0  0
  6 33  1  0  0  0
  7 34  1  0  0  0
  8 35  1  0  0  0
  8 36  1  0  0  0
  8 37  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 15  1  0  0  0
 12 13  1  0  0  0
 12 39  1  0  0  0
 13 14  2  0  0  0
 13 40  1  0  0  0
 14 41  1  0  0  0
 15 16  1  0  0  0
 15 42  1  0  0  0
 15 43  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 19 20  2  0  0  0
 19 44  1  0  0  0
 20 21  1  0  0  0
 20 23  1  0  0  0
 21 22  2  0  0  0
 21 45  1  0  0  0
 22 46  1  0  0  0
 23 28  1  0  0  0
 23 24  1  0  0  0
 23 47  1  0  0  0
 24 25  1  0  0  0
 24 48  1  0  0  0
 24 49  1  0  0  0
 25 27  1  0  0  0
 25 26  2  0  0  0
 27 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3288357

>  <PubChem CID>
90644299

>  <Formula>
C23H22FNO3

>  <Molecular Weight>
379.431000

>  <IUPAC Name>
3-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]pyridin-3-yl]-3-fluoropropanoic acid

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(C(=CC=C1)C)C2=CC(=CC=C2)COC3=NC=C(C=C3)C(CC(=O)O)F

>  <Isomeric SMILES>
CC1=C(C(=CC=C1)C)C2=CC(=CC=C2)COC3=NC=C(C=C3)C(CC(=O)O)F

>  <InChI Std. ID>
InChI=1S/C23H22FNO3/c1-15-5-3-6-16(2)23(15)18-8-4-7-17(11-18)14-28-21-10-9-19(13-25-21)20(24)12-22(26)27/h3-11,13,20H,12,14H2,1-2H3,(H,26,27)

>  <InChI Key>
MQHZAEPCABTXAM-UHFFFAOYSA-N

