
 SCHEMBL6117257

 45 48  0  0  0  0  0  0  0  0999 V2000
    3.3894   -1.1758    0.6968 C   0  0  0  0  0
    2.7262    0.0261    0.3263 O   0  0  0  0  0
    3.4859    1.1656    0.2938 C   0  0  0  0  0
    2.7819    2.3624    0.1732 C   0  0  0  0  0
    3.4213    3.6036    0.1357 C   0  0  0  0  0
    4.8214    3.6308    0.2335 C   0  0  0  0  0
    5.5548    2.4468    0.3071 C   0  0  0  0  0
    4.8831    1.2035    0.3434 C   0  0  0  0  0
    6.9211    2.8074    0.2826 C   0  0  0  0  0
    7.0265    4.1867    0.1880 C   0  0  0  0  0
    5.7311    4.6863    0.2787 N   0  0  0  0  0
    5.3314    6.0959    0.3070 C   0  0  0  0  0
    5.0087    6.5700    1.7105 C   0  0  0  0  0
    3.7331    6.4336    2.2559 C   0  0  0  0  0
    3.4971    6.8493    3.5660 C   0  0  0  0  0
    4.5360    7.3954    4.3099 C   0  0  0  0  0
    5.7774    7.5196    3.7031 C   0  0  0  0  0
    6.0152    7.1333    2.4207 N   0  0  0  0  0
    6.9582    8.0792    4.4322 C   0  0  0  0  0
    8.0633    8.3040    3.9701 O   0  0  0  0  0
    6.7068    8.3156    5.7379 O   0  0  0  0  0
    8.2665    4.9442   -0.0319 C   0  0  0  0  0
    9.1133    4.5705   -1.0850 C   0  0  0  0  0
   10.3194    5.2357   -1.2893 C   0  0  0  0  0
   10.7070    6.2856   -0.4675 C   0  0  0  0  0
    9.8812    6.6613    0.5870 C   0  0  0  0  0
    8.6780    5.9812    0.8114 C   0  0  0  0  0
   11.1229    4.8500   -2.2888 F   0  0  0  0  0
    1.4412    2.3460    0.0978 F   0  0  0  0  0
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    3.8921   -1.0716    1.6645 H   0  0  0  0  0
    4.0916   -1.4920   -0.0813 H   0  0  0  0  0
    2.8238    4.4987    0.0231 H   0  0  0  0  0
    5.4804    0.3005    0.3901 H   0  0  0  0  0
    7.7594    2.1217    0.2763 H   0  0  0  0  0
    4.4658    6.2178   -0.3540 H   0  0  0  0  0
    6.1353    6.6984   -0.1261 H   0  0  0  0  0
    2.9158    6.0081    1.6853 H   0  0  0  0  0
    2.5089    6.7376    4.0057 H   0  0  0  0  0
    4.3714    7.7117    5.3344 H   0  0  0  0  0
    7.5692    8.6384    6.0769 H   0  0  0  0  0
    8.8527    3.7528   -1.7500 H   0  0  0  0  0
   11.6501    6.7914   -0.6448 H   0  0  0  0  0
   10.1709    7.4725    1.2518 H   0  0  0  0  0
    8.0871    6.2642    1.6751 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
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  9 10  2  0  0  0
  9 35  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL6117257

>  <PubChem CID>
69670796

>  <Formula>
C22H16F2N2O3

>  <Molecular Weight>
394.378000

>  <IUPAC Name>
6-[[6-fluoro-2-(3-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=C4)F)F

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

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

>  <InChI Key>
WOTFSADZXCFLFZ-UHFFFAOYSA-N

