
 SCHEMBL6117853

 45 48  0  0  0  0  0  0  0  0999 V2000
    2.1463   -0.2730    0.6178 C   0  0  0  0  0
    3.5567   -0.0934    0.5895 O   0  0  0  0  0
    4.0211    1.1887    0.4550 C   0  0  0  0  0
    3.2626    2.3556    0.3791 C   0  0  0  0  0
    3.8579    3.6137    0.2413 C   0  0  0  0  0
    5.2596    3.6838    0.1752 C   0  0  0  0  0
    6.0449    2.5385    0.2538 C   0  0  0  0  0
    5.4193    1.2821    0.3949 C   0  0  0  0  0
    7.3931    2.9578    0.1576 C   0  0  0  0  0
    7.4450    4.3386    0.0091 C   0  0  0  0  0
    6.1211    4.7691    0.0454 N   0  0  0  0  0
    5.6358    6.1446   -0.0545 C   0  0  0  0  0
    5.3855    6.8123    1.2829 C   0  0  0  0  0
    5.6625    6.2110    2.5149 C   0  0  0  0  0
    5.4385    6.9184    3.6934 C   0  0  0  0  0
    4.9285    8.2076    3.6288 C   0  0  0  0  0
    4.6644    8.7470    2.3755 C   0  0  0  0  0
    4.8950    8.0749    1.2133 N   0  0  0  0  0
    4.1059   10.1304    2.2253 C   0  0  0  0  0
    4.0034   10.7714    1.1965 O   0  0  0  0  0
    3.6678   10.6403    3.3966 O   0  0  0  0  0
    8.6573    5.1653   -0.1929 C   0  0  0  0  0
    8.8199    6.4288    0.3964 C   0  0  0  0  0
    9.9732    7.1931    0.1766 C   0  0  0  0  0
   11.0090    6.6933   -0.6061 C   0  0  0  0  0
   10.8898    5.4274   -1.1684 C   0  0  0  0  0
    9.7276    4.6815   -0.9645 C   0  0  0  0  0
    9.6640    3.4703   -1.5400 F   0  0  0  0  0
    1.9226    2.3230    0.4390 F   0  0  0  0  0
    1.9494   -1.3462    0.7034 H   0  0  0  0  0
    1.6832    0.0731   -0.3119 H   0  0  0  0  0
    1.7044    0.2131    1.4938 H   0  0  0  0  0
    3.2290    4.4960    0.1887 H   0  0  0  0  0
    6.0227    0.3798    0.4516 H   0  0  0  0  0
    8.2565    2.3036    0.1733 H   0  0  0  0  0
    4.7030    6.1250   -0.6302 H   0  0  0  0  0
    6.3498    6.7231   -0.6473 H   0  0  0  0  0
    6.0625    5.2028    2.5839 H   0  0  0  0  0
    5.6605    6.4617    4.6541 H   0  0  0  0  0
    4.7475    8.7711    4.5372 H   0  0  0  0  0
    3.3011   11.5110    3.1360 H   0  0  0  0  0
    8.0671    6.8511    1.0514 H   0  0  0  0  0
   10.0609    8.1796    0.6270 H   0  0  0  0  0
   11.9070    7.2837   -0.7697 H   0  0  0  0  0
   11.6923    5.0095   -1.7686 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  5  6  2  0  0  0
  5 33  1  0  0  0
  6 11  1  0  0  0
  6  7  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  8 34  1  0  0  0
  9 10  2  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
 10 22  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 36  1  0  0  0
 12 37  1  0  0  0
 13 18  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
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 15 16  2  0  0  0
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 17 19  1  0  0  0
 19 21  1  0  0  0
 19 20  2  0  0  0
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 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
 23 42  1  0  0  0
 24 25  2  0  0  0
 24 43  1  0  0  0
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 26 27  2  0  0  0
 26 45  1  0  0  0
 27 28  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL6117853

>  <PubChem CID>
50908088

>  <Formula>
C22H16F2N2O3

>  <Molecular Weight>
394.378000

>  <IUPAC Name>
6-[[6-fluoro-2-(2-fluorophenyl)-5-methoxyindol-1-yl]methyl]pyridine-2-carboxylic acid

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
COC1=C(C=C2C(=C1)C=C(N2CC3=CC=CC(=N3)C(=O)O)C4=CC=CC=C4F)F

>  <Isomeric SMILES>
COC1=C(C=C2C(=C1)C=C(N2CC3=CC=CC(=N3)C(=O)O)C4=CC=CC=C4F)F

>  <InChI Std. ID>
InChI=1S/C22H16F2N2O3/c1-29-21-10-13-9-20(15-6-2-3-7-16(15)23)26(19(13)11-17(21)24)12-14-5-4-8-18(25-14)22(27)28/h2-11H,12H2,1H3,(H,27,28)

>  <InChI Key>
OXYUWLNOROEKTI-UHFFFAOYSA-N

