
 CHEMBL3925733

 70 73  0  0  0  0  0  0  0  0999 V2000
   14.1020   11.4689    4.0209 C   0  0  0  0  0
   13.3148   12.7673    3.9300 C   0  0  0  0  0
   11.9162   12.5420    3.4132 C   0  0  0  0  0
   11.6535   12.5957    2.0390 C   0  0  0  0  0
   10.3611   12.3781    1.5543 C   0  0  0  0  0
    9.3166   12.0780    2.4401 C   0  0  0  0  0
    9.5739   12.0368    3.8151 C   0  0  0  0  0
   10.8662   12.2626    4.2976 C   0  0  0  0  0
    7.9262   11.7971    1.9640 C   0  0  0  0  0
    6.9864   12.0615    2.7043 O   0  0  0  0  0
    7.8561   11.2075    0.7162 N   0  0  0  0  0
    6.7076   10.7949    0.0125 C   0  0  0  0  0
    5.4001   10.9564    0.4642 C   0  0  0  0  0
    4.3304   10.4526   -0.2853 C   0  0  0  0  0
    4.5604    9.7792   -1.4863 C   0  0  0  0  0
    5.8645    9.6259   -1.9654 C   0  0  0  0  0
    6.9267   10.1542   -1.2129 C   0  0  0  0  0
    6.1544    8.8458   -3.2308 C   0  0  0  0  0
    6.1997    7.3813   -3.0346 N   0  0  0  0  0
    7.2234    6.9820   -2.0582 C   0  0  0  0  0
    7.2147    5.4702   -1.8377 C   0  0  0  0  0
    7.4500    4.7068   -3.1411 C   0  0  0  0  0
    6.4617    5.1989   -4.2054 C   0  0  0  0  0
    6.4464    6.7259   -4.3318 C   0  0  0  0  0
    8.9029    4.8039   -3.6162 C   0  0  0  0  0
    9.2191    5.2043   -4.7317 O   0  0  0  0  0
    9.8270    4.3656   -2.6877 N   0  0  0  0  0
   11.2472    4.2478   -3.0039 C   0  0  0  0  0
   12.1095    4.6122   -1.7885 C   0  0  0  0  0
   12.0895    3.5450   -0.6953 C   0  0  0  0  0
   12.4395    2.1669   -1.2463 C   0  0  0  0  0
   11.5388    1.7842   -2.4164 C   0  0  0  0  0
   11.5719    2.8400   -3.5221 C   0  0  0  0  0
   15.1147   11.6657    4.3867 H   0  0  0  0  0
   14.1833   10.9833    3.0424 H   0  0  0  0  0
   13.6244   10.7623    4.7079 H   0  0  0  0  0
   13.8403   13.4723    3.2739 H   0  0  0  0  0
   13.2719   13.2455    4.9161 H   0  0  0  0  0
   12.4546   12.8182    1.3369 H   0  0  0  0  0
   10.1889   12.4709    0.4859 H   0  0  0  0  0
    8.7683   11.8215    4.5146 H   0  0  0  0  0
   11.0463   12.2196    5.3696 H   0  0  0  0  0
    8.7323   10.9529    0.2826 H   0  0  0  0  0
    5.1797   11.4541    1.4031 H   0  0  0  0  0
    3.3144   10.5706    0.0839 H   0  0  0  0  0
    3.7214    9.3623   -2.0393 H   0  0  0  0  0
    7.9406   10.0186   -1.5824 H   0  0  0  0  0
    7.0918    9.2098   -3.6735 H   0  0  0  0  0
    5.3658    9.0917   -3.9550 H   0  0  0  0  0
    7.0203    7.4303   -1.0801 H   0  0  0  0  0
    8.2211    7.3164   -2.3714 H   0  0  0  0  0
    7.9604    5.2169   -1.0764 H   0  0  0  0  0
    6.2423    5.1752   -1.4215 H   0  0  0  0  0
    7.2621    3.6389   -2.9684 H   0  0  0  0  0
    6.6903    4.7555   -5.1820 H   0  0  0  0  0
    5.4535    4.8573   -3.9362 H   0  0  0  0  0
    7.3894    7.0768   -4.7702 H   0  0  0  0  0
    5.6491    6.9954   -5.0356 H   0  0  0  0  0
    9.4841    3.8680   -1.8764 H   0  0  0  0  0
   11.4690    4.9658   -3.8026 H   0  0  0  0  0
   11.7852    5.5712   -1.3664 H   0  0  0  0  0
   13.1465    4.7483   -2.1221 H   0  0  0  0  0
   12.8019    3.8161    0.0924 H   0  0  0  0  0
   11.0993    3.5119   -0.2259 H   0  0  0  0  0
   13.4863    2.1603   -1.5747 H   0  0  0  0  0
   12.3507    1.4183   -0.4509 H   0  0  0  0  0
   11.8582    0.8181   -2.8234 H   0  0  0  0  0
   10.5104    1.6520   -2.0589 H   0  0  0  0  0
   12.5749    2.8492   -3.9674 H   0  0  0  0  0
   10.8742    2.5535   -4.3180 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  1  0  0  0
  2 37  1  0  0  0
  2 38  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 39  1  0  0  0
  5  6  2  0  0  0
  5 40  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 41  1  0  0  0
  8 42  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  1  0  0  0
 11 43  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
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 15 16  1  0  0  0
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 16 18  1  0  0  0
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 18 49  1  0  0  0
 19 24  1  0  0  0
 19 20  1  0  0  0
 20 21  1  0  0  0
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 21 22  1  0  0  0
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 22 23  1  0  0  0
 22 25  1  0  0  0
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 23 56  1  0  0  0
 24 57  1  0  0  0
 24 58  1  0  0  0
 25 27  1  0  0  0
 25 26  2  0  0  0
 27 28  1  0  0  0
 27 59  1  0  0  0
 28 33  1  0  0  0
 28 29  1  0  0  0
 28 60  1  0  0  0
 29 30  1  0  0  0
 29 61  1  0  0  0
 29 62  1  0  0  0
 30 31  1  0  0  0
 30 63  1  0  0  0
 30 64  1  0  0  0
 31 32  1  0  0  0
 31 65  1  0  0  0
 31 66  1  0  0  0
 32 33  1  0  0  0
 32 67  1  0  0  0
 32 68  1  0  0  0
 33 69  1  0  0  0
 33 70  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3925733

>  <PubChem CID>
129626170

>  <Formula>
C28H37N3O2

>  <Molecular Weight>
447.623000

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

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)CN3CCC(CC3)C(=O)NC4CCCCC4

>  <Isomeric SMILES>
CCC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)CN3CCC(CC3)C(=O)NC4CCCCC4

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

>  <InChI Key>
CZDAJXDOAMQKJQ-UHFFFAOYSA-N

