
 CHEMBL234521

 71 74  0  0  0  0  0  0  0  0999 V2000
   -2.0333   -4.8544   -7.0697 C   0  0  0  0  0
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    1.7742   -5.8631   -7.0367 C   0  0  0  0  0
    0.4611   -5.5552   -7.0400 N   0  0  0  0  0
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    3.4837   -6.6576   -6.0046 H   0  0  0  0  0
    2.3117   -5.6177   -7.9480 H   0  0  0  0  0
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    0.2516   -7.0024   -2.7433 H   0  0  0  0  0
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   -4.2145   -8.1321   -3.8932 H   0  0  0  0  0
   -5.1191   -6.2207   -2.6133 H   0  0  0  0  0
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   -8.1498   -4.3690    0.4884 H   0  0  0  0  0
  -10.6188   -6.1181   -0.0062 H   0  0  0  0  0
  -11.2968   -4.0648    1.3250 H   0  0  0  0  0
  -12.0190   -4.2137   -0.2534 H   0  0  0  0  0
  -11.3433   -1.9039    0.1213 H   0  0  0  0  0
   -9.6859   -2.3787    0.4662 H   0  0  0  0  0
  -11.1682   -2.6212   -2.1916 H   0  0  0  0  0
   -9.8058   -1.5669   -1.8318 H   0  0  0  0  0
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   -8.2956   -3.4783   -1.6055 H   0  0  0  0  0
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  -10.0930   -7.1111    2.3131 H   0  0  0  0  0
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   -8.8868   -3.0351    4.8686 H   0  0  0  0  0
   -8.2305   -3.2145    2.5031 H   0  0  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
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  4  9  1  0  0  0
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  9 10  1  0  0  0
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  9 42  1  0  0  0
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 34 71  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL234521

>  <PubChem CID>
44430553

>  <Formula>
C28H37N3O3

>  <Molecular Weight>
463.622000

>  <IUPAC Name>
2-cyclohexyl-N-[1-[3-(2-methoxypyridin-3-yl)propanoyl]piperidin-4-yl]-2-phenylacetamide

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=C(C=CC=N1)CCC(=O)N2CCC(CC2)NC(=O)C(C3CCCCC3)C4=CC=CC=C4

>  <Isomeric SMILES>
COC1=C(C=CC=N1)CCC(=O)N2CCC(CC2)NC(=O)C(C3CCCCC3)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C28H37N3O3/c1-34-28-23(13-8-18-29-28)14-15-25(32)31-19-16-24(17-20-31)30-27(33)26(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2,4-5,8-10,13,18,22,24,26H,3,6-7,11-12,14-17,19-20H2,1H3,(H,30,33)

>  <InChI Key>
JFRBWKFDDQARII-UHFFFAOYSA-N

