
 CHEMBL3911168

 70 73  0  0  0  0  0  0  0  0999 V2000
   18.6710   -4.6137    5.7778 C   0  0  0  0  0
   18.3781   -4.0678    4.4061 C   0  0  0  0  0
   19.2046   -4.3634    3.3033 C   0  0  0  0  0
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   16.2035   -2.1429    0.2379 N   0  0  0  0  0
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   18.8507   -5.6924    5.7376 H   0  0  0  0  0
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   15.5223   -2.4480    0.9181 H   0  0  0  0  0
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   16.4279   -0.1974   -3.9551 H   0  0  0  0  0
   13.9683    0.0782   -4.0287 H   0  0  0  0  0
   13.6620   -1.7292   -0.1418 H   0  0  0  0  0
   11.9735    0.4670   -2.1040 H   0  0  0  0  0
   11.6969   -0.9938   -1.1678 H   0  0  0  0  0
   10.0135    0.2932   -3.3133 H   0  0  0  0  0
    9.5047   -1.1734   -2.4725 H   0  0  0  0  0
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    9.9430   -0.7753   -5.4782 H   0  0  0  0  0
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   12.5887   -3.0344   -3.1478 H   0  0  0  0  0
    7.1031   -2.7103   -5.2913 H   0  0  0  0  0
    6.3105   -4.4801   -3.0279 H   0  0  0  0  0
    5.2064   -2.2105   -3.0876 H   0  0  0  0  0
    4.0903   -3.5704   -3.1840 H   0  0  0  0  0
    3.4087   -1.8659   -4.7841 H   0  0  0  0  0
    5.0122   -1.8055   -5.5012 H   0  0  0  0  0
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    4.9005   -5.7551   -4.5037 H   0  0  0  0  0
    6.5112   -5.7321   -5.2174 H   0  0  0  0  0
   20.9752   -5.3121    2.5037 H   0  0  0  0  0
   20.0974   -6.2738    3.6996 H   0  0  0  0  0
   21.0839   -4.8719    4.2085 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
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 33 70  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3911168

>  <PubChem CID>
72705982

>  <Formula>
C28H37N3O2

>  <Molecular Weight>
447.623000

>  <IUPAC Name>
N-cyclohexyl-1-[[3-[(3,4-dimethylbenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)CN3CCC(CC3)C(=O)NC4CCCCC4)C

>  <Isomeric SMILES>
CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)CN3CCC(CC3)C(=O)NC4CCCCC4)C

>  <InChI Std. ID>
InChI=1S/C28H37N3O2/c1-20-11-12-24(17-21(20)2)28(33)30-26-10-6-7-22(18-26)19-31-15-13-23(14-16-31)27(32)29-25-8-4-3-5-9-25/h6-7,10-12,17-18,23,25H,3-5,8-9,13-16,19H2,1-2H3,(H,29,32)(H,30,33)

>  <InChI Key>
AWCKOLODWWIGES-UHFFFAOYSA-N

