
 CHEMBL3947371

 64 67  0  0  0  0  0  0  0  0999 V2000
    2.2334    1.6190    1.5613 C   0  0  0  0  0
    2.0464    1.3243    0.1406 N   0  0  0  0  0
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    7.1465    0.1981   -1.0886 N   0  0  0  0  0
    6.4975    1.4894   -1.3668 C   0  0  0  0  0
    5.3026    1.7339   -0.4464 C   0  0  0  0  0
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    9.2994   -2.1984   -2.3918 C   0  0  0  0  0
   11.9155   -2.2254    0.9127 N   0  0  0  0  0
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   13.4198   -1.5032    2.6400 C   0  0  0  0  0
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   15.2224   -1.2043    4.1021 C   0  0  0  0  0
   15.1642   -2.5770    4.0238 C   0  0  0  0  0
   13.9099   -3.1086    2.9882 S   0  0  0  0  0
    3.0076    1.0233    2.0371 H   0  0  0  0  0
    1.3118    1.4009    2.1089 H   0  0  0  0  0
    2.4804    2.6791    1.6636 H   0  0  0  0  0
    0.8052    1.6793   -1.5148 H   0  0  0  0  0
    0.7223    3.7522   -0.2107 H   0  0  0  0  0
    0.0070    2.9260    1.1645 H   0  0  0  0  0
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   -3.2287    2.1247   -0.6239 H   0  0  0  0  0
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   -0.3105    0.2052    0.9191 H   0  0  0  0  0
    0.1583   -0.5103   -0.6134 H   0  0  0  0  0
    4.3802    0.4484    0.9508 H   0  0  0  0  0
    4.2243   -1.5162   -0.9458 H   0  0  0  0  0
    5.3277   -1.3607    0.3937 H   0  0  0  0  0
    6.6589   -1.8428   -1.4152 H   0  0  0  0  0
    5.8613   -0.7261   -2.5160 H   0  0  0  0  0
    7.2069    2.3125   -1.2099 H   0  0  0  0  0
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   10.1424   -4.1339   -2.8135 H   0  0  0  0  0
    8.6703   -2.2083   -3.2788 H   0  0  0  0  0
   12.4576   -3.0758    1.0021 H   0  0  0  0  0
   14.0650    0.4848    3.2288 H   0  0  0  0  0
   15.9512   -0.6672    4.6973 H   0  0  0  0  0
   15.8016   -3.2939    4.5239 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 33  1  0  0  0
  1 34  1  0  0  0
  2  9  1  0  0  0
  2  3  1  0  0  0
  3  8  1  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
  4  5  1  0  0  0
  4 36  1  0  0  0
  4 37  1  0  0  0
  5  6  1  0  0  0
  5 38  1  0  0  0
  5 39  1  0  0  0
  6  7  1  0  0  0
  6 40  1  0  0  0
  6 41  1  0  0  0
  7  8  1  0  0  0
  7 42  1  0  0  0
  7 43  1  0  0  0
  8 44  1  0  0  0
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  9 11  1  0  0  0
  9 10  2  0  0  0
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 30 64  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3947371

>  <PubChem CID>
129626004

>  <Formula>
C25H33N3O2S

>  <Molecular Weight>
439.618000

>  <IUPAC Name>
N-cyclohexyl-N-methyl-1-[[3-(thiophene-2-carbonylamino)phenyl]methyl]piperidine-4-carboxamide

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN(C1CCCCC1)C(=O)C2CCN(CC2)CC3=CC(=CC=C3)NC(=O)C4=CC=CS4

>  <Isomeric SMILES>
CN(C1CCCCC1)C(=O)C2CCN(CC2)CC3=CC(=CC=C3)NC(=O)C4=CC=CS4

>  <InChI Std. ID>
InChI=1S/C25H33N3O2S/c1-27(22-9-3-2-4-10-22)25(30)20-12-14-28(15-13-20)18-19-7-5-8-21(17-19)26-24(29)23-11-6-16-31-23/h5-8,11,16-17,20,22H,2-4,9-10,12-15,18H2,1H3,(H,26,29)

>  <InChI Key>
CVCLOWVYIKLFKI-UHFFFAOYSA-N

