
 CHEMBL485227

 65 67  0  0  0  0  0  0  0  0999 V2000
    1.8489    3.8642   -2.3186 C   0  0  0  0  0
    2.5072    2.5935   -1.7975 C   0  0  0  0  0
    3.8764    2.9042   -1.1776 C   0  0  0  0  0
    4.5490    1.7010   -0.6494 N   0  0  0  0  0
    5.0897    0.8521   -1.7272 C   0  0  0  0  0
    4.6825   -0.6177   -1.5414 C   0  0  0  0  0
    5.3015   -1.4984   -2.6318 C   0  0  0  0  0
    4.9766   -2.9754   -2.4158 C   0  0  0  0  0
    5.5167   -3.7961   -3.4833 N   0  0  0  0  0
    6.7616   -4.3915   -3.3888 C   0  0  0  0  0
    7.4916   -4.2811   -2.4113 O   0  0  0  0  0
    7.1875   -5.2309   -4.5435 C   0  0  0  0  0
    8.0377   -6.3133   -4.3018 C   0  0  0  0  0
    8.4799   -7.1189   -5.3575 C   0  0  0  0  0
    8.1104   -6.8575   -6.6898 C   0  0  0  0  0
    7.2606   -5.7550   -6.9116 C   0  0  0  0  0
    6.8014   -4.9513   -5.8569 C   0  0  0  0  0
    8.6111   -7.6905   -7.8105 C   0  0  0  0  0
    9.9129   -8.2262   -7.8013 C   0  0  0  0  0
   10.3921   -9.0101   -8.8566 C   0  0  0  0  0
    9.5814   -9.2690   -9.9565 C   0  0  0  0  0
    8.2915   -8.7497   -9.9963 C   0  0  0  0  0
    7.8116   -7.9752   -8.9336 C   0  0  0  0  0
    5.5398    2.0665    0.4013 C   0  0  0  0  0
    6.6659    3.0179   -0.0674 C   0  0  0  0  0
    7.6242    3.3779    1.0680 C   0  0  0  0  0
    8.1927    2.1375    1.7458 C   0  0  0  0  0
    7.0795    1.2249    2.2459 C   0  0  0  0  0
    6.1323    0.8323    1.1132 C   0  0  0  0  0
    0.8709    3.6358   -2.7548 H   0  0  0  0  0
    2.4639    4.3343   -3.0933 H   0  0  0  0  0
    1.6997    4.5901   -1.5130 H   0  0  0  0  0
    2.5991    1.8829   -2.6253 H   0  0  0  0  0
    1.8549    2.1337   -1.0459 H   0  0  0  0  0
    3.6974    3.6153   -0.3601 H   0  0  0  0  0
    4.5123    3.4175   -1.9098 H   0  0  0  0  0
    6.1795    0.9296   -1.8040 H   0  0  0  0  0
    4.7172    1.1731   -2.7089 H   0  0  0  0  0
    3.5887   -0.7050   -1.5753 H   0  0  0  0  0
    4.9985   -0.9903   -0.5622 H   0  0  0  0  0
    6.3905   -1.3633   -2.6445 H   0  0  0  0  0
    4.9340   -1.1801   -3.6148 H   0  0  0  0  0
    3.8942   -3.1332   -2.4096 H   0  0  0  0  0
    5.3756   -3.3171   -1.4555 H   0  0  0  0  0
    4.9199   -4.0070   -4.2694 H   0  0  0  0  0
    8.3601   -6.5356   -3.2858 H   0  0  0  0  0
    9.1241   -7.9641   -5.1201 H   0  0  0  0  0
    6.9668   -5.4882   -7.9251 H   0  0  0  0  0
    6.1789   -4.0929   -6.0882 H   0  0  0  0  0
   10.5859   -8.0265   -6.9692 H   0  0  0  0  0
   11.4013   -9.4120   -8.8183 H   0  0  0  0  0
    9.9539   -9.8729  -10.7795 H   0  0  0  0  0
    7.6531   -8.9488  -10.8538 H   0  0  0  0  0
    6.7912   -7.6043   -8.9927 H   0  0  0  0  0
    4.9747    2.6021    1.1784 H   0  0  0  0  0
    6.2455    3.9501   -0.4618 H   0  0  0  0  0
    7.2450    2.5636   -0.8794 H   0  0  0  0  0
    8.4438    3.9903    0.6745 H   0  0  0  0  0
    7.0965    3.9905    1.8092 H   0  0  0  0  0
    8.8260    1.5900    1.0373 H   0  0  0  0  0
    8.8322    2.4346    2.5842 H   0  0  0  0  0
    7.5150    0.3222    2.6892 H   0  0  0  0  0
    6.5155    1.7308    3.0390 H   0  0  0  0  0
    6.6940    0.2108    0.4062 H   0  0  0  0  0
    5.3252    0.2147    1.5248 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 24  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  8  1  0  0  0
  7 41  1  0  0  0
  7 42  1  0  0  0
  8  9  1  0  0  0
  8 43  1  0  0  0
  8 44  1  0  0  0
  9 10  1  0  0  0
  9 45  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 46  1  0  0  0
 14 15  2  0  0  0
 14 47  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 16 17  2  0  0  0
 16 48  1  0  0  0
 17 49  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 50  1  0  0  0
 20 21  2  0  0  0
 20 51  1  0  0  0
 21 22  1  0  0  0
 21 52  1  0  0  0
 22 23  2  0  0  0
 22 53  1  0  0  0
 23 54  1  0  0  0
 24 29  1  0  0  0
 24 25  1  0  0  0
 24 55  1  0  0  0
 25 26  1  0  0  0
 25 56  1  0  0  0
 25 57  1  0  0  0
 26 27  1  0  0  0
 26 58  1  0  0  0
 26 59  1  0  0  0
 27 28  1  0  0  0
 27 60  1  0  0  0
 27 61  1  0  0  0
 28 29  1  0  0  0
 28 62  1  0  0  0
 28 63  1  0  0  0
 29 64  1  0  0  0
 29 65  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL485227

>  <PubChem CID>
25139481

>  <Formula>
C26H36N2O

>  <Molecular Weight>
392.587000

>  <IUPAC Name>
N-[4-[cyclohexyl(propyl)amino]butyl]-4-phenylbenzamide

>  <XlogP>
6.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCN(CCCCNC(=O)C1=CC=C(C=C1)C2=CC=CC=C2)C3CCCCC3

>  <Isomeric SMILES>
CCCN(CCCCNC(=O)C1=CC=C(C=C1)C2=CC=CC=C2)C3CCCCC3

>  <InChI Std. ID>
InChI=1S/C26H36N2O/c1-2-20-28(25-13-7-4-8-14-25)21-10-9-19-27-26(29)24-17-15-23(16-18-24)22-11-5-3-6-12-22/h3,5-6,11-12,15-18,25H,2,4,7-10,13-14,19-21H2,1H3,(H,27,29)

>  <InChI Key>
DPLNSFBAHKTNGS-UHFFFAOYSA-N

