
 SCHEMBL931922

 54 57  0  0  0  0  0  0  0  0999 V2000
   11.5308   -0.1275   -5.7579 C   0  0  0  0  0
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    9.9901    1.3554   -2.5991 C   0  0  0  0  0
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    9.1306    2.1158   -0.6524 C   0  0  0  0  0
    8.7021    2.8016    0.4917 C   0  0  0  0  0
    7.9786    2.0888    1.4387 C   0  0  0  0  0
    7.6911    0.7340    1.2803 C   0  0  0  0  0
    8.1282   -0.0227    0.1659 C   0  0  0  0  0
    8.8382    0.7591   -0.7862 C   0  0  0  0  0
    9.3698    0.3138   -1.9708 O   0  0  0  0  0
    7.8053   -1.4072    0.0819 N   0  0  0  0  0
    8.1162   -2.1728    1.3177 C   0  0  0  0  0
    7.8269   -3.6905    1.1729 C   0  0  0  0  0
    8.3856   -4.3405   -0.0382 N   0  0  0  0  0
    7.8672   -3.5717   -1.1925 C   0  0  0  0  0
    8.2214   -2.0714   -1.1705 C   0  0  0  0  0
    9.8650   -4.3681    0.0291 C   0  0  0  0  0
   10.5412   -5.0727   -1.1563 C   0  0  0  0  0
   12.0425   -5.0354   -1.0120 C   0  0  0  0  0
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    7.5423    2.7230    2.5359 F   0  0  0  0  0
   12.0607    0.7947   -6.0048 H   0  0  0  0  0
   10.8874   -0.3994   -6.6003 H   0  0  0  0  0
   12.2676   -0.9197   -5.5929 H   0  0  0  0  0
   10.0665   -1.9712   -4.9286 H   0  0  0  0  0
    8.9884   -1.0022   -3.9204 H   0  0  0  0  0
   10.5479   -1.6102   -3.2543 H   0  0  0  0  0
   10.2616    3.4599   -2.0545 H   0  0  0  0  0
    8.9128    3.8546    0.6416 H   0  0  0  0  0
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    6.7736   -3.6753   -1.2107 H   0  0  0  0  0
    9.3032   -1.9779   -1.3082 H   0  0  0  0  0
    7.7082   -1.6023   -2.0178 H   0  0  0  0  0
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   10.2864   -3.3616    0.1373 H   0  0  0  0  0
   10.2919   -4.5778   -2.1016 H   0  0  0  0  0
   10.1945   -6.1094   -1.2403 H   0  0  0  0  0
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   14.6615   -6.7786    0.2433 H   0  0  0  0  0
   15.8476   -4.7778   -0.6691 H   0  0  0  0  0
   14.4904   -2.9959   -1.7722 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL931922

>  <PubChem CID>
59636734

>  <Formula>
C22H25FN4O2

>  <Molecular Weight>
396.466000

>  <IUPAC Name>
5-fluoro-N,N-dimethyl-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN(C)C(=O)C1=CC2=CC(=CC(=C2O1)N3CCN(CC3)CCC4=CC=CC=N4)F

>  <Isomeric SMILES>
CN(C)C(=O)C1=CC2=CC(=CC(=C2O1)N3CCN(CC3)CCC4=CC=CC=N4)F

>  <InChI Std. ID>
InChI=1S/C22H25FN4O2/c1-25(2)22(28)20-14-16-13-17(23)15-19(21(16)29-20)27-11-9-26(10-12-27)8-6-18-5-3-4-7-24-18/h3-5,7,13-15H,6,8-12H2,1-2H3

>  <InChI Key>
LKUIEJVJQNPDKO-UHFFFAOYSA-N

