
 SCHEMBL6117615

 45 48  0  0  0  0  0  0  0  0999 V2000
    1.5703   -0.1517    0.5825 C   0  0  0  0  0
    2.9874   -0.0372    0.5257 O   0  0  0  0  0
    3.5043    1.2268    0.4118 C   0  0  0  0  0
    2.7929    2.4220    0.3091 C   0  0  0  0  0
    3.4375    3.6563    0.2062 C   0  0  0  0  0
    4.8451    3.6716    0.2058 C   0  0  0  0  0
    5.5830    2.4998    0.2958 C   0  0  0  0  0
    4.9078    1.2666    0.4008 C   0  0  0  0  0
    6.9493    2.8717    0.2467 C   0  0  0  0  0
    7.0500    4.2528    0.1222 C   0  0  0  0  0
    5.7442    4.7304    0.1537 N   0  0  0  0  0
    5.3012    6.1239    0.1547 C   0  0  0  0  0
    4.7318    6.5478    1.4948 C   0  0  0  0  0
    5.2233    6.0593    2.7093 C   0  0  0  0  0
    4.6369    6.4700    3.9043 C   0  0  0  0  0
    3.5874    7.3766    3.8700 C   0  0  0  0  0
    3.1604    7.8380    2.6321 C   0  0  0  0  0
    3.7141    7.4447    1.4516 N   0  0  0  0  0
    2.0314    8.8136    2.5888 C   0  0  0  0  0
    1.5123    9.3417    3.5578 O   0  0  0  0  0
    1.5930    9.0681    1.3401 O   0  0  0  0  0
    8.2897    5.0315   -0.0583 C   0  0  0  0  0
    8.5409    6.2404    0.6054 C   0  0  0  0  0
    9.7273    6.9492    0.3818 C   0  0  0  0  0
   10.6883    6.4312   -0.4766 C   0  0  0  0  0
   10.4867    5.2172   -1.1141 C   0  0  0  0  0
    9.2895    4.5245   -0.9094 C   0  0  0  0  0
   11.8250    7.1073   -0.6822 F   0  0  0  0  0
    1.4504    2.4377    0.3085 F   0  0  0  0  0
    1.3278   -1.2124    0.6980 H   0  0  0  0  0
    1.1092    0.1921   -0.3488 H   0  0  0  0  0
    1.1644    0.3750    1.4523 H   0  0  0  0  0
    2.8483    4.5634    0.1365 H   0  0  0  0  0
    5.4724    0.3410    0.4740 H   0  0  0  0  0
    7.7881    2.1883    0.2790 H   0  0  0  0  0
    4.5345    6.2091   -0.6251 H   0  0  0  0  0
    6.1180    6.7818   -0.1422 H   0  0  0  0  0
    6.0359    5.3388    2.7430 H   0  0  0  0  0
    4.9933    6.0761    4.8528 H   0  0  0  0  0
    3.1103    7.7099    4.7869 H   0  0  0  0  0
    0.8555    9.6999    1.4624 H   0  0  0  0  0
    7.8323    6.6533    1.3162 H   0  0  0  0  0
    9.9088    7.8978    0.8773 H   0  0  0  0  0
   11.2539    4.8163   -1.7680 H   0  0  0  0  0
    9.1433    3.5785   -1.4280 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
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M  END

>  <Chemical Name>
SCHEMBL6117615

>  <PubChem CID>
69670895

>  <Formula>
C22H16F2N2O3

>  <Molecular Weight>
394.378000

>  <IUPAC Name>
6-[[6-fluoro-2-(4-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=C(C=C4)F)F

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

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

>  <InChI Key>
YXPWKAMVDKTKQV-UHFFFAOYSA-N

