
 CHEMBL3963024

 76 79  0  0  0  0  0  0  0  0999 V2000
    1.1635    4.0711   -1.0443 C   0  0  0  0  0
    2.5815    4.0999   -1.6364 C   0  0  0  0  0
    2.9829    5.5720   -1.8211 C   0  0  0  0  0
    3.6049    3.3396   -0.7431 C   0  0  0  0  0
    3.1523    1.9191   -0.4053 C   0  0  0  0  0
    2.8645    1.5648    0.9220 C   0  0  0  0  0
    2.4883    0.2586    1.2393 C   0  0  0  0  0
    2.3921   -0.7046    0.2368 C   0  0  0  0  0
    2.6682   -0.3634   -1.0853 C   0  0  0  0  0
    3.0460    0.9405   -1.4064 C   0  0  0  0  0
    5.0243    3.2826   -1.3637 C   0  0  0  0  0
    5.2412    3.5728   -2.5349 O   0  0  0  0  0
    5.9705    2.8444   -0.4465 N   0  0  0  0  0
    7.3503    2.6525   -0.6497 C   0  0  0  0  0
    8.0338    3.0243   -1.8061 C   0  0  0  0  0
    9.4027    2.7664   -1.9293 C   0  0  0  0  0
   10.0979    2.1339   -0.8984 C   0  0  0  0  0
    9.4336    1.7678    0.2775 C   0  0  0  0  0
    8.0604    2.0391    0.3911 C   0  0  0  0  0
   10.1646    1.0548    1.3960 C   0  0  0  0  0
   10.4564   -0.3613    1.1048 N   0  0  0  0  0
    9.2251   -1.1597    0.9793 C   0  0  0  0  0
    9.5501   -2.6011    0.5866 C   0  0  0  0  0
   10.5554   -3.2690    1.5258 C   0  0  0  0  0
   11.7429   -2.3447    1.8138 C   0  0  0  0  0
   11.3029   -0.9231    2.1670 C   0  0  0  0  0
    9.8999   -3.7636    2.8168 C   0  0  0  0  0
    8.7909   -3.4100    3.1985 O   0  0  0  0  0
   10.6864   -4.6712    3.5013 N   0  0  0  0  0
   10.2583   -5.3063    4.7418 C   0  0  0  0  0
   10.9605   -6.6591    4.9234 C   0  0  0  0  0
   12.4385   -6.5186    5.2899 C   0  0  0  0  0
   12.6349   -5.6149    6.5024 C   0  0  0  0  0
   11.9734   -4.2544    6.3051 C   0  0  0  0  0
   10.4930   -4.3923    5.9517 C   0  0  0  0  0
    1.1492    4.4933   -0.0334 H   0  0  0  0  0
    0.7636    3.0539   -0.9964 H   0  0  0  0  0
    0.4732    4.6557   -1.6625 H   0  0  0  0  0
    2.5415    3.6349   -2.6300 H   0  0  0  0  0
    3.0537    6.0865   -0.8567 H   0  0  0  0  0
    2.2415    6.1007   -2.4306 H   0  0  0  0  0
    3.9451    5.6759   -2.3292 H   0  0  0  0  0
    3.7061    3.9072    0.1940 H   0  0  0  0  0
    2.9283    2.3010    1.7201 H   0  0  0  0  0
    2.2697   -0.0102    2.2697 H   0  0  0  0  0
    2.1019   -1.7222    0.4853 H   0  0  0  0  0
    2.5947   -1.1142   -1.8680 H   0  0  0  0  0
    3.2681    1.1851   -2.4444 H   0  0  0  0  0
    5.6086    2.5094    0.4379 H   0  0  0  0  0
    7.5298    3.5125   -2.6342 H   0  0  0  0  0
    9.9229    3.0510   -2.8406 H   0  0  0  0  0
   11.1569    1.9165   -1.0181 H   0  0  0  0  0
    7.5419    1.7338    1.2970 H   0  0  0  0  0
    9.6033    1.1547    2.3348 H   0  0  0  0  0
   11.1068    1.5983    1.5516 H   0  0  0  0  0
    8.5822   -0.7584    0.1882 H   0  0  0  0  0
    8.6435   -1.1327    1.9091 H   0  0  0  0  0
    8.6211   -3.1823    0.5374 H   0  0  0  0  0
    9.9687   -2.5994   -0.4290 H   0  0  0  0  0
   10.9306   -4.1690    1.0172 H   0  0  0  0  0
   12.3666   -2.7356    2.6256 H   0  0  0  0  0
   12.3822   -2.3049    0.9222 H   0  0  0  0  0
   10.7829   -0.9167    3.1342 H   0  0  0  0  0
   12.2080   -0.3142    2.2839 H   0  0  0  0  0
   11.6290   -4.8384    3.1744 H   0  0  0  0  0
    9.1795   -5.4862    4.6514 H   0  0  0  0  0
   10.8696   -7.2600    4.0103 H   0  0  0  0  0
   10.4540   -7.2169    5.7215 H   0  0  0  0  0
   12.8595   -7.5089    5.4983 H   0  0  0  0  0
   12.9981   -6.1136    4.4383 H   0  0  0  0  0
   12.2120   -6.1010    7.3903 H   0  0  0  0  0
   13.7057   -5.4804    6.6926 H   0  0  0  0  0
   12.0761   -3.6623    7.2216 H   0  0  0  0  0
   12.4937   -3.7045    5.5117 H   0  0  0  0  0
    9.9639   -4.8114    6.8174 H   0  0  0  0  0
   10.0685   -3.3975    5.7738 H   0  0  0  0  0
  1  2  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 39  1  0  0  0
  3 40  1  0  0  0
  3 41  1  0  0  0
  3 42  1  0  0  0
  4 11  1  0  0  0
  4  5  1  0  0  0
  4 43  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 44  1  0  0  0
  7  8  2  0  0  0
  7 45  1  0  0  0
  8  9  1  0  0  0
  8 46  1  0  0  0
  9 10  2  0  0  0
  9 47  1  0  0  0
 10 48  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  1  0  0  0
 13 49  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 50  1  0  0  0
 16 17  2  0  0  0
 16 51  1  0  0  0
 17 18  1  0  0  0
 17 52  1  0  0  0
 18 19  2  0  0  0
 18 20  1  0  0  0
 19 53  1  0  0  0
 20 21  1  0  0  0
 20 54  1  0  0  0
 20 55  1  0  0  0
 21 26  1  0  0  0
 21 22  1  0  0  0
 22 23  1  0  0  0
 22 56  1  0  0  0
 22 57  1  0  0  0
 23 24  1  0  0  0
 23 58  1  0  0  0
 23 59  1  0  0  0
 24 25  1  0  0  0
 24 27  1  0  0  0
 24 60  1  0  0  0
 25 26  1  0  0  0
 25 61  1  0  0  0
 25 62  1  0  0  0
 26 63  1  0  0  0
 26 64  1  0  0  0
 27 29  1  0  0  0
 27 28  2  0  0  0
 29 30  1  0  0  0
 29 65  1  0  0  0
 30 35  1  0  0  0
 30 31  1  0  0  0
 30 66  1  0  0  0
 31 32  1  0  0  0
 31 67  1  0  0  0
 31 68  1  0  0  0
 32 33  1  0  0  0
 32 69  1  0  0  0
 32 70  1  0  0  0
 33 34  1  0  0  0
 33 71  1  0  0  0
 33 72  1  0  0  0
 34 35  1  0  0  0
 34 73  1  0  0  0
 34 74  1  0  0  0
 35 75  1  0  0  0
 35 76  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3963024

>  <PubChem CID>
129626020

>  <Formula>
C30H41N3O2

>  <Molecular Weight>
475.677000

>  <IUPAC Name>
N-cyclohexyl-1-[[3-[(3-methyl-2-phenylbutanoyl)amino]phenyl]methyl]piperidine-4-carboxamide

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

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

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

>  <InChI Std. ID>
InChI=1S/C30H41N3O2/c1-22(2)28(24-11-5-3-6-12-24)30(35)32-27-15-9-10-23(20-27)21-33-18-16-25(17-19-33)29(34)31-26-13-7-4-8-14-26/h3,5-6,9-12,15,20,22,25-26,28H,4,7-8,13-14,16-19,21H2,1-2H3,(H,31,34)(H,32,35)

>  <InChI Key>
BWXVZHHYROKFSK-UHFFFAOYSA-N

