
 CHEMBL458507

 65 67  0  0  0  0  0  0  0  0999 V2000
   10.0157   -0.2603   -1.5808 C   0  0  0  0  0
    8.5064   -0.0761   -1.5738 C   0  0  0  0  0
    8.1137    1.3125   -2.0764 C   0  0  0  0  0
    6.6706    1.5536   -2.0036 N   0  0  0  0  0
    5.8626    1.1881   -3.1707 C   0  0  0  0  0
    5.1595   -0.1612   -3.0171 C   0  0  0  0  0
    4.3490   -0.5045   -4.2577 C   0  0  0  0  0
    6.0059    2.0569   -0.8863 C   0  0  0  0  0
    4.7782    2.1971   -0.8727 O   0  0  0  0  0
    6.8184    2.4595    0.3420 C   0  0  0  0  0
    7.2890    3.8955    0.3061 C   0  0  0  0  0
    6.3736    4.9368    0.1070 C   0  0  0  0  0
    6.8086    6.2619    0.0589 C   0  0  0  0  0
    8.1640    6.5826    0.2148 C   0  0  0  0  0
    9.0745    5.5434    0.4446 C   0  0  0  0  0
    8.6402    4.2144    0.4976 C   0  0  0  0  0
    8.6017    7.9752    0.1012 C   0  0  0  0  0
    8.3720    8.8895    1.1389 C   0  0  0  0  0
    8.6811   10.2422    0.9786 C   0  0  0  0  0
    9.2177   10.7106   -0.2288 C   0  0  0  0  0
    9.4859    9.7927   -1.2524 C   0  0  0  0  0
    9.1858    8.4393   -1.0858 C   0  0  0  0  0
    9.4274   12.1930   -0.4590 C   0  0  0  0  0
    8.4495   12.7674   -1.4007 N   0  0  0  0  0
    7.0597   12.7134   -0.9202 C   0  0  0  0  0
    6.7633   13.6809    0.2285 C   0  0  0  0  0
    7.1374   15.1093   -0.1503 C   0  0  0  0  0
    8.5636   15.1796   -0.6886 C   0  0  0  0  0
    8.8019   14.1404   -1.7884 C   0  0  0  0  0
   10.2782   -1.2504   -1.1959 H   0  0  0  0  0
   10.5061    0.4897   -0.9531 H   0  0  0  0  0
   10.4140   -0.1741   -2.5962 H   0  0  0  0  0
    8.1268   -0.2380   -0.5582 H   0  0  0  0  0
    8.0529   -0.8484   -2.2045 H   0  0  0  0  0
    8.4413    1.4495   -3.1131 H   0  0  0  0  0
    8.6344    2.0763   -1.4949 H   0  0  0  0  0
    6.4995    1.1896   -4.0623 H   0  0  0  0  0
    5.1107    1.9723   -3.3234 H   0  0  0  0  0
    4.4938   -0.1464   -2.1463 H   0  0  0  0  0
    5.8908   -0.9559   -2.8383 H   0  0  0  0  0
    3.6040    0.2688   -4.4672 H   0  0  0  0  0
    3.8236   -1.4538   -4.1167 H   0  0  0  0  0
    4.9984   -0.6029   -5.1330 H   0  0  0  0  0
    7.6536    1.7706    0.4933 H   0  0  0  0  0
    6.1775    2.3267    1.2229 H   0  0  0  0  0
    5.3141    4.7244   -0.0268 H   0  0  0  0  0
    6.0801    7.0510   -0.1217 H   0  0  0  0  0
   10.1302    5.7670    0.5800 H   0  0  0  0  0
    9.3722    3.4307    0.6795 H   0  0  0  0  0
    7.9181    8.5538    2.0688 H   0  0  0  0  0
    8.4587   10.9361    1.7863 H   0  0  0  0  0
    9.8880   10.1398   -2.2019 H   0  0  0  0  0
    9.3649    7.7517   -1.9098 H   0  0  0  0  0
   10.4405   12.3078   -0.8692 H   0  0  0  0  0
    9.4358   12.7217    0.5019 H   0  0  0  0  0
    6.7734   11.6960   -0.6318 H   0  0  0  0  0
    6.3985   12.9569   -1.7633 H   0  0  0  0  0
    5.6972   13.6361    0.4797 H   0  0  0  0  0
    7.3100   13.3808    1.1299 H   0  0  0  0  0
    6.4429   15.4730   -0.9168 H   0  0  0  0  0
    7.0302   15.7683    0.7177 H   0  0  0  0  0
    8.7534   16.1827   -1.0862 H   0  0  0  0  0
    9.2742   15.0275    0.1328 H   0  0  0  0  0
    8.2032   14.4130   -2.6670 H   0  0  0  0  0
    9.8448   14.1868   -2.1233 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  5 38  1  0  0  0
  6  7  1  0  0  0
  6 39  1  0  0  0
  6 40  1  0  0  0
  7 41  1  0  0  0
  7 42  1  0  0  0
  7 43  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
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 19 20  2  0  0  0
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 23 24  1  0  0  0
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 24 25  1  0  0  0
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 25 57  1  0  0  0
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 29 64  1  0  0  0
 29 65  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL458507

>  <PubChem CID>
44588349

>  <Formula>
C26H36N2O

>  <Molecular Weight>
392.587000

>  <IUPAC Name>
2-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]-N,N-dipropylacetamide

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCN(CCC)C(=O)CC1=CC=C(C=C1)C2=CC=C(C=C2)CN3CCCCC3

>  <Isomeric SMILES>
CCCN(CCC)C(=O)CC1=CC=C(C=C1)C2=CC=C(C=C2)CN3CCCCC3

>  <InChI Std. ID>
InChI=1S/C26H36N2O/c1-3-16-28(17-4-2)26(29)20-22-8-12-24(13-9-22)25-14-10-23(11-15-25)21-27-18-6-5-7-19-27/h8-15H,3-7,16-21H2,1-2H3

>  <InChI Key>
ALMYDBLKQQSJKZ-UHFFFAOYSA-N

