
 CHEMBL234523

 65 68  0  0  0  0  0  0  0  0999 V2000
   -0.6794    1.6730    1.5024 C   0  0  0  0  0
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    3.7159   -7.9150    3.0797 C   0  0  0  0  0
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    6.3372   -7.5229   -0.5691 C   0  0  0  0  0
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   -0.2983   -1.2386    3.5154 H   0  0  0  0  0
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   -5.0197   -3.2089    5.6465 H   0  0  0  0  0
   -3.6791   -3.0000    3.5912 H   0  0  0  0  0
    0.0774   -3.4876    4.6498 H   0  0  0  0  0
   -0.4418   -5.7931    3.1901 H   0  0  0  0  0
    2.2620   -4.5717    2.4136 H   0  0  0  0  0
    0.9083   -4.8305    1.3217 H   0  0  0  0  0
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    4.7144   -6.6743    1.5860 H   0  0  0  0  0
    4.6362   -9.7607    1.4205 H   0  0  0  0  0
    4.7325  -10.4701   -0.9818 H   0  0  0  0  0
    6.9852   -8.4444   -3.7606 H   0  0  0  0  0
    7.4858   -6.6009   -2.1524 H   0  0  0  0  0
    6.5591   -6.7288    0.1382 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  2 36  1  0  0  0
  3  4  1  0  0  0
  3 37  1  0  0  0
  3 38  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 39  1  0  0  0
  5  6  1  0  0  0
  5 40  1  0  0  0
  5 41  1  0  0  0
  6 42  1  0  0  0
  6 43  1  0  0  0
  7 14  1  0  0  0
  7  8  1  0  0  0
  7 44  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 45  1  0  0  0
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 27 28  2  0  0  0
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 29 30  2  0  0  0
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 31 32  2  0  0  0
 31 64  1  0  0  0
 32 65  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL234523

>  <PubChem CID>
44430556

>  <Formula>
C27H33N3O2

>  <Molecular Weight>
431.580000

>  <IUPAC Name>
2-cyclohexyl-2-phenyl-N-[1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidin-4-yl]acetamide

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CCC(CC1)C(C2=CC=CC=C2)C(=O)NC3CCN(CC3)C(=O)C=CC4=CN=CC=C4

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

>  <InChI Std. ID>
InChI=1S/C27H33N3O2/c31-25(14-13-21-8-7-17-28-20-21)30-18-15-24(16-19-30)29-27(32)26(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1,3-4,7-10,13-14,17,20,23-24,26H,2,5-6,11-12,15-16,18-19H2,(H,29,32)/b14-13+

>  <InChI Key>
CENVSZJSDHGUKD-BUHFOSPRSA-N

