
 CHEMBL210343

 71 75  0  0  0  0  0  0  0  0999 V2000
    0.8991    0.2132    2.8179 C   0  0  0  0  0
    0.0952   -0.9775    2.3402 C   0  0  0  0  0
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    5.2609    3.0115   -8.2738 C   0  0  0  0  0
    6.2625    3.2448   -9.2216 C   0  0  0  0  0
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    7.7203    1.7276   -8.0434 C   0  0  0  0  0
    6.7154    1.5084   -7.0891 C   0  0  0  0  0
    8.9750    1.0513   -7.9305 C   0  0  0  0  0
    9.9951    0.4929   -7.8445 N   0  0  0  0  0
    0.4740    0.6791    3.7112 H   0  0  0  0  0
    1.9272   -0.0917    3.0488 H   0  0  0  0  0
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    1.7744    1.8009    1.6555 H   0  0  0  0  0
    0.0148    1.8011    1.6539 H   0  0  0  0  0
    1.7664   -1.6176   -1.3222 H   0  0  0  0  0
    2.9632   -0.6352   -2.0877 H   0  0  0  0  0
    1.0089   -1.0001   -3.5727 H   0  0  0  0  0
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    1.4152    3.1794   -2.4188 H   0  0  0  0  0
    0.2007    2.2228   -1.6221 H   0  0  0  0  0
    3.2147    1.7328   -1.5250 H   0  0  0  0  0
    2.2546    2.4506   -0.2743 H   0  0  0  0  0
   -0.2279    2.6330   -4.3283 H   0  0  0  0  0
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   -0.6806   -0.2855   -5.1573 H   0  0  0  0  0
    0.2944    0.8706   -6.0966 H   0  0  0  0  0
   -1.5862   -0.1526   -7.4474 H   0  0  0  0  0
   -3.4277    3.0911   -7.3666 H   0  0  0  0  0
   -6.2017    1.8438  -10.3811 H   0  0  0  0  0
   -3.1312   -0.8653   -9.0730 H   0  0  0  0  0
    3.0228   -0.6294   -4.3643 H   0  0  0  0  0
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    3.6754    3.9430   -6.1313 H   0  0  0  0  0
    1.8827    3.5373   -4.5698 H   0  0  0  0  0
    4.3041    3.5140   -8.4062 H   0  0  0  0  0
    6.0769    3.9247  -10.0501 H   0  0  0  0  0
    8.2636    2.7829   -9.8535 H   0  0  0  0  0
    6.9215    0.8394   -6.2542 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 39  1  0  0  0
  1 40  1  0  0  0
  2  3  1  0  0  0
  2 41  1  0  0  0
  2 42  1  0  0  0
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 31 32  2  0  0  0
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 37 38  3  0  0  0
M  END

>  <Chemical Name>
CHEMBL210343

>  <PubChem CID>
20608976

>  <Formula>
C32H33Cl2N3O

>  <Molecular Weight>
546.536000

>  <IUPAC Name>
3-[4-[4-(3-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]-N-(3,5-dichlorophenyl)propanamide

>  <XlogP>
7.500

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CCC(C1)N2CCC(CC2)(CCC(=O)NC3=CC(=CC(=C3)Cl)Cl)C4=CC=C(C=C4)C5=CC=CC(=C5)C#N

>  <Isomeric SMILES>
C1CCC(C1)N2CCC(CC2)(CCC(=O)NC3=CC(=CC(=C3)Cl)Cl)C4=CC=C(C=C4)C5=CC=CC(=C5)C#N

>  <InChI Std. ID>
InChI=1S/C32H33Cl2N3O/c33-27-19-28(34)21-29(20-27)36-31(38)12-13-32(14-16-37(17-15-32)30-6-1-2-7-30)26-10-8-24(9-11-26)25-5-3-4-23(18-25)22-35/h3-5,8-11,18-21,30H,1-2,6-7,12-17H2,(H,36,38)

>  <InChI Key>
FKTRDONUASUZHX-UHFFFAOYSA-N

