
 CHEMBL179263

 48 51  0  0  0  0  0  0  0  0999 V2000
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    2.0430   -1.9056    1.8383 C   0  0  0  0  0
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    1.0921   -2.9022   -0.2047 C   0  0  0  0  0
    2.2179   -2.4808   -1.1606 C   0  0  0  0  0
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    2.6387   -4.6198   -4.1754 C   0  0  0  0  0
    2.9185   -5.4175   -3.0733 C   0  0  0  0  0
    2.7663   -4.7094   -1.9239 O   0  0  0  0  0
    3.3155   -6.7491   -3.1472 C   0  0  0  0  0
    3.4325   -7.2943   -4.4304 C   0  0  0  0  0
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    2.7504   -5.1843   -5.4588 C   0  0  0  0  0
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    3.5133  -10.5516   -8.4677 C   0  0  0  0  0
    3.7130   -9.1947   -8.2065 C   0  0  0  0  0
    0.6643  -11.5167   -5.8388 Cl  0  0  0  0  0
    3.2482   -0.5231    0.6564 H   0  0  0  0  0
    3.6600   -0.5689    2.3735 H   0  0  0  0  0
    2.1962    0.2685    1.8343 H   0  0  0  0  0
    2.7118   -2.7635    1.6853 H   0  0  0  0  0
    1.1648   -1.0292    3.6350 H   0  0  0  0  0
    2.1745   -2.4541    3.9552 H   0  0  0  0  0
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    3.7788   -8.3218   -4.5166 H   0  0  0  0  0
    2.5506   -4.5882   -6.3454 H   0  0  0  0  0
    1.3927   -8.7830   -5.7347 H   0  0  0  0  0
    2.4284  -12.3302   -7.9283 H   0  0  0  0  0
    4.0916  -11.0452   -9.2457 H   0  0  0  0  0
    4.4451   -8.6351   -8.7867 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
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  3  4  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  4  5  1  0  0  0
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  7 37  1  0  0  0
  7 38  1  0  0  0
  8  9  1  0  0  0
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  9 13  1  0  0  0
  9 10  2  0  0  0
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 25 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL179263

>  <PubChem CID>
10292436

>  <Formula>
C22H22ClNO2

>  <Molecular Weight>
367.873000

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

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

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

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

>  <InChI Std. ID>
InChI=1S/C22H22ClNO2/c1-15-4-3-10-24(15)11-9-20-14-18-12-17(7-8-21(18)26-20)22(25)16-5-2-6-19(23)13-16/h2,5-8,12-15H,3-4,9-11H2,1H3/t15-/m1/s1

>  <InChI Key>
ARRAWZMFGXGZJA-OAHLLOKOSA-N

