
 CHEMBL178853

 51 54  0  0  0  0  0  0  0  0999 V2000
    5.2824   -0.9651    1.7611 C   0  0  0  0  0
    4.5117   -2.2610    1.9730 C   0  0  0  0  0
    4.1186   -2.4587    3.4333 C   0  0  0  0  0
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    2.1876   -2.7711    2.1071 C   0  0  0  0  0
    3.2395   -2.2554    1.2129 N   0  0  0  0  0
    3.3661   -3.0497   -0.0240 C   0  0  0  0  0
    2.1848   -2.8631   -0.9910 C   0  0  0  0  0
    2.3727   -3.6797   -2.2198 C   0  0  0  0  0
    2.7365   -3.3747   -3.5156 C   0  0  0  0  0
    2.7679   -4.6028   -4.2268 C   0  0  0  0  0
    2.4098   -5.5819   -3.3096 C   0  0  0  0  0
    2.1642   -5.0221   -2.0933 O   0  0  0  0  0
    2.3265   -6.9356   -3.6107 C   0  0  0  0  0
    2.6356   -7.3041   -4.9283 C   0  0  0  0  0
    3.0035   -6.3614   -5.9097 C   0  0  0  0  0
    3.0629   -4.9967   -5.5454 C   0  0  0  0  0
    3.3200   -6.7835   -7.2907 C   0  0  0  0  0
    4.4350   -6.2627   -7.9715 C   0  0  0  0  0
    4.7181   -6.6254   -9.2971 C   0  0  0  0  0
    3.9012   -7.5497   -9.9524 C   0  0  0  0  0
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    5.8900   -5.9978   -9.9673 C   0  0  0  0  0
    6.7899   -5.5020   -9.2932 O   0  0  0  0  0
    5.9337   -5.9737  -11.4731 C   0  0  0  0  0
    5.5616   -0.8393    0.7092 H   0  0  0  0  0
    6.2028   -0.9641    2.3557 H   0  0  0  0  0
    4.6915   -0.0918    2.0591 H   0  0  0  0  0
    5.1436   -3.1101    1.6755 H   0  0  0  0  0
    3.8576   -1.5088    3.9140 H   0  0  0  0  0
    4.9125   -2.9336    4.0164 H   0  0  0  0  0
    3.1907   -4.3787    3.1397 H   0  0  0  0  0
    2.2751   -3.3068    4.2243 H   0  0  0  0  0
    1.5236   -3.5171    1.6573 H   0  0  0  0  0
    1.5614   -1.9224    2.4110 H   0  0  0  0  0
    3.4973   -4.1141    0.2167 H   0  0  0  0  0
    4.2767   -2.7371   -0.5542 H   0  0  0  0  0
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    1.2381   -3.1517   -0.5215 H   0  0  0  0  0
    2.9632   -2.3893   -3.8972 H   0  0  0  0  0
    2.0477   -7.6646   -2.8599 H   0  0  0  0  0
    2.5990   -8.3630   -5.1808 H   0  0  0  0  0
    3.3310   -4.2384   -6.2760 H   0  0  0  0  0
    5.0972   -5.5589   -7.4661 H   0  0  0  0  0
    4.1062   -7.8689  -10.9696 H   0  0  0  0  0
    2.1614   -8.8123   -9.7936 H   0  0  0  0  0
    1.6309   -8.1265   -7.4946 H   0  0  0  0  0
    4.9631   -5.6786  -11.8798 H   0  0  0  0  0
    6.2331   -6.9515  -11.8563 H   0  0  0  0  0
    6.6655   -5.2264  -11.7975 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  6  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  3  4  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
  4 34  1  0  0  0
  5  6  1  0  0  0
  5 35  1  0  0  0
  5 36  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 37  1  0  0  0
  7 38  1  0  0  0
  8  9  1  0  0  0
  8 39  1  0  0  0
  8 40  1  0  0  0
  9 13  1  0  0  0
  9 10  2  0  0  0
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 14 15  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL178853

>  <PubChem CID>
9884652

>  <Formula>
C23H25NO2

>  <Molecular Weight>
347.458000

>  <IUPAC Name>
1-[3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]ethanone

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1CCCN1CCC2=CC3=C(O2)C=CC(=C3)C4=CC(=CC=C4)C(=O)C

>  <Isomeric SMILES>
C[C@@H]1CCCN1CCC2=CC3=C(O2)C=CC(=C3)C4=CC(=CC=C4)C(=O)C

>  <InChI Std. ID>
InChI=1S/C23H25NO2/c1-16-5-4-11-24(16)12-10-22-15-21-14-20(8-9-23(21)26-22)19-7-3-6-18(13-19)17(2)25/h3,6-9,13-16H,4-5,10-12H2,1-2H3/t16-/m1/s1

>  <InChI Key>
AZWATKGVDUSMSO-MRXNPFEDSA-N

