
 CHEMBL233675

 67 70  0  0  0  0  0  0  0  0999 V2000
   -1.9847    1.7236    1.1891 C   0  0  0  0  0
   -3.0005    1.2801    2.2341 C   0  0  0  0  0
   -3.6189   -0.0657    1.8673 C   0  0  0  0  0
   -2.5818   -1.1862    1.6307 C   0  0  0  0  0
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   -2.9863   -2.1550    3.9887 C   0  0  0  0  0
   -2.9931   -1.5223    5.2411 C   0  0  0  0  0
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   -4.8703   -3.5233    4.7012 C   0  0  0  0  0
   -3.9379   -3.1576    3.7296 C   0  0  0  0  0
   -6.0024   -3.3464    7.1423 Cl  0  0  0  0  0
   -1.1171   -3.0414    2.6084 C   0  0  0  0  0
   -1.2661   -3.6866    1.5730 O   0  0  0  0  0
   -0.2211   -3.4300    3.5871 N   0  0  0  0  0
    0.5830   -4.6394    3.4276 C   0  0  0  0  0
    1.6634   -4.4446    2.3461 C   0  0  0  0  0
    2.5445   -5.6847    2.2368 C   0  0  0  0  0
    3.1263   -5.9777    3.5436 N   0  0  0  0  0
    2.1284   -6.2842    4.5659 C   0  0  0  0  0
    1.2100   -5.0760    4.7649 C   0  0  0  0  0
    4.4185   -5.5297    3.7869 C   0  0  0  0  0
    5.1277   -5.0548    2.8965 O   0  0  0  0  0
    4.9963   -5.6728    5.1773 C   0  0  0  0  0
    5.6513   -7.0414    5.3358 C   0  0  0  0  0
    6.2621   -7.2220    6.6992 C   0  0  0  0  0
    5.7994   -8.2006    7.5732 C   0  0  0  0  0
    6.2912   -8.4042    8.8163 N   0  0  0  0  0
    7.3030   -7.6009    9.2079 C   0  0  0  0  0
    7.8467   -6.6064    8.4135 C   0  0  0  0  0
    7.3196   -6.4198    7.1393 C   0  0  0  0  0
   -2.4946    1.9030    0.2337 H   0  0  0  0  0
   -1.5299    2.6740    1.4891 H   0  0  0  0  0
   -3.7920    2.0346    2.3119 H   0  0  0  0  0
   -2.5199    1.2183    3.2169 H   0  0  0  0  0
   -4.3533   -0.3500    2.6272 H   0  0  0  0  0
   -4.1936    0.0645    0.9399 H   0  0  0  0  0
   -3.1215   -2.0021    1.1294 H   0  0  0  0  0
   -0.6991   -1.4161    0.5172 H   0  0  0  0  0
   -1.9754   -0.6002   -0.3583 H   0  0  0  0  0
   -0.3080    0.5797    1.9127 H   0  0  0  0  0
   -0.2199    0.9875    0.2037 H   0  0  0  0  0
   -1.2546   -1.0388    3.3593 H   0  0  0  0  0
   -2.2764   -0.7366    5.4708 H   0  0  0  0  0
   -3.9246   -1.3947    7.1806 H   0  0  0  0  0
   -5.5959   -4.3026    4.4839 H   0  0  0  0  0
   -3.9538   -3.6677    2.7667 H   0  0  0  0  0
   -0.2823   -2.9872    4.4963 H   0  0  0  0  0
   -0.0993   -5.4336    3.0949 H   0  0  0  0  0
    2.2787   -3.5711    2.5986 H   0  0  0  0  0
    1.2106   -4.2384    1.3706 H   0  0  0  0  0
    1.9546   -6.5544    1.9236 H   0  0  0  0  0
    3.3201   -5.5291    1.4803 H   0  0  0  0  0
    1.5489   -7.1474    4.2157 H   0  0  0  0  0
    2.5898   -6.5792    5.5096 H   0  0  0  0  0
    0.4216   -5.3242    5.4856 H   0  0  0  0  0
    1.7834   -4.2443    5.1940 H   0  0  0  0  0
    4.2470   -5.4805    5.9494 H   0  0  0  0  0
    5.7369   -4.8717    5.2980 H   0  0  0  0  0
    6.4358   -7.1774    4.5797 H   0  0  0  0  0
    4.9148   -7.8321    5.1441 H   0  0  0  0  0
    4.9927   -8.8732    7.2944 H   0  0  0  0  0
    7.6797   -7.7848   10.2099 H   0  0  0  0  0
    8.6622   -5.9913    8.7767 H   0  0  0  0  0
    7.7376   -5.6492    6.4959 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
  2 36  1  0  0  0
  2 37  1  0  0  0
  3  4  1  0  0  0
  3 38  1  0  0  0
  3 39  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 40  1  0  0  0
  5  6  1  0  0  0
  5 41  1  0  0  0
  5 42  1  0  0  0
  6 43  1  0  0  0
  6 44  1  0  0  0
  7 15  1  0  0  0
  7  8  1  0  0  0
  7 45  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 46  1  0  0  0
 10 11  2  0  0  0
 10 47  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
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 12 48  1  0  0  0
 13 49  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  1  0  0  0
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 18 23  1  0  0  0
 18 19  1  0  0  0
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 19 20  1  0  0  0
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 20 21  1  0  0  0
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 21 22  1  0  0  0
 21 24  1  0  0  0
 22 23  1  0  0  0
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 22 57  1  0  0  0
 23 58  1  0  0  0
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 24 26  1  0  0  0
 24 25  2  0  0  0
 26 27  1  0  0  0
 26 60  1  0  0  0
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 27 28  1  0  0  0
 27 62  1  0  0  0
 27 63  1  0  0  0
 28 29  2  0  0  0
 28 33  1  0  0  0
 29 30  1  0  0  0
 29 64  1  0  0  0
 30 31  2  0  0  0
 31 32  1  0  0  0
 31 65  1  0  0  0
 32 33  2  0  0  0
 32 66  1  0  0  0
 33 67  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL233675

>  <PubChem CID>
44430541

>  <Formula>
C27H34ClN3O2

>  <Molecular Weight>
468.038000

>  <IUPAC Name>
2-(4-chlorophenyl)-2-cyclohexyl-N-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]acetamide

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CCC(CC1)C(C2=CC=C(C=C2)Cl)C(=O)NC3CCN(CC3)C(=O)CCC4=CN=CC=C4

>  <Isomeric SMILES>
C1CCC(CC1)C(C2=CC=C(C=C2)Cl)C(=O)NC3CCN(CC3)C(=O)CCC4=CN=CC=C4

>  <InChI Std. ID>
InChI=1S/C27H34ClN3O2/c28-23-11-9-22(10-12-23)26(21-6-2-1-3-7-21)27(33)30-24-14-17-31(18-15-24)25(32)13-8-20-5-4-16-29-19-20/h4-5,9-12,16,19,21,24,26H,1-3,6-8,13-15,17-18H2,(H,30,33)

>  <InChI Key>
MVZBPBBWVBYVKZ-UHFFFAOYSA-N

