
 CHEMBL243955

 73 76  0  0  0  0  0  0  0  0999 V2000
    9.0132   -6.0007    4.3052 C   0  0  0  0  0
    7.9275   -5.2799    3.6460 N   0  0  0  0  0
    8.0943   -3.8238    3.6243 C   0  0  0  0  0
    6.5970   -5.6439    3.9881 C   0  0  0  0  0
    6.3052   -6.1666    5.2673 C   0  0  0  0  0
    5.0058   -6.4988    5.6497 C   0  0  0  0  0
    3.9609   -6.3184    4.7592 C   0  0  0  0  0
    4.2144   -5.7976    3.4896 C   0  0  0  0  0
    5.5152   -5.4493    3.0655 C   0  0  0  0  0
    5.7295   -4.9425    1.7623 N   0  0  0  0  0
    6.6247   -5.7883    0.9362 C   0  0  0  0  0
    6.3709   -5.5795   -0.5814 C   0  0  0  0  0
    6.1944   -4.1715   -1.0084 N   0  0  0  0  0
    5.0993   -3.5575   -0.2079 C   0  0  0  0  0
    4.6027   -4.3501    1.0290 C   0  0  0  0  0
    7.4272   -3.3761   -0.8478 C   0  0  0  0  0
    8.5698   -3.8328   -1.7651 C   0  0  0  0  0
    9.7841   -2.8973   -1.7197 C   0  0  0  0  0
   10.4823   -2.8905   -0.3543 C   0  0  0  0  0
   11.7780   -2.0821   -0.3674 C   0  0  0  0  0
   12.9206   -2.7757   -1.0913 C   0  0  0  0  0
   12.8755   -3.9316   -1.4914 O   0  0  0  0  0
   14.0175   -1.9597   -1.2309 N   0  0  0  0  0
   15.2037   -2.3580   -1.9800 C   0  0  0  0  0
   16.3745   -2.6345   -1.0265 C   0  0  0  0  0
   16.9634   -1.3372   -0.4795 C   0  0  0  0  0
   17.5043   -0.4692   -1.6135 C   0  0  0  0  0
   16.5575   -0.3456   -2.7816 C   0  0  0  0  0
   16.7655    0.6751   -3.7218 C   0  0  0  0  0
   15.9388    0.7945   -4.8393 C   0  0  0  0  0
   14.9019   -0.1116   -5.0387 C   0  0  0  0  0
   14.6900   -1.1356   -4.1180 C   0  0  0  0  0
   15.5137   -1.2672   -2.9860 C   0  0  0  0  0
    9.9518   -5.8226    3.7689 H   0  0  0  0  0
    8.8402   -7.0829    4.2918 H   0  0  0  0  0
    9.1563   -5.6685    5.3397 H   0  0  0  0  0
    9.0897   -3.5713    3.2410 H   0  0  0  0  0
    8.0082   -3.4044    4.6339 H   0  0  0  0  0
    7.3722   -3.3192    2.9755 H   0  0  0  0  0
    7.0902   -6.2978    6.0054 H   0  0  0  0  0
    4.8153   -6.8927    6.6438 H   0  0  0  0  0
    2.9467   -6.5834    5.0436 H   0  0  0  0  0
    3.3662   -5.6967    2.8200 H   0  0  0  0  0
    6.4760   -6.8529    1.1593 H   0  0  0  0  0
    7.6705   -5.5415    1.1437 H   0  0  0  0  0
    7.1601   -6.0734   -1.1584 H   0  0  0  0  0
    5.4572   -6.1234   -0.8598 H   0  0  0  0  0
    5.3732   -2.5463    0.1216 H   0  0  0  0  0
    4.2425   -3.4177   -0.8790 H   0  0  0  0  0
    4.0454   -3.6564    1.6709 H   0  0  0  0  0
    3.9116   -5.1351    0.6961 H   0  0  0  0  0
    7.7538   -3.3701    0.1979 H   0  0  0  0  0
    7.2030   -2.3344   -1.1143 H   0  0  0  0  0
    8.2057   -3.8738   -2.7995 H   0  0  0  0  0
    8.9022   -4.8427   -1.5019 H   0  0  0  0  0
    9.4765   -1.8778   -1.9830 H   0  0  0  0  0
   10.4874   -3.2215   -2.4953 H   0  0  0  0  0
   10.6814   -3.9188   -0.0301 H   0  0  0  0  0
    9.8138   -2.4430    0.3898 H   0  0  0  0  0
   12.1048   -1.9211    0.6673 H   0  0  0  0  0
   11.6049   -1.0995   -0.8219 H   0  0  0  0  0
   13.9678   -0.9990   -0.9232 H   0  0  0  0  0
   14.9936   -3.2882   -2.5225 H   0  0  0  0  0
   16.0507   -3.2746   -0.1971 H   0  0  0  0  0
   17.1613   -3.1803   -1.5638 H   0  0  0  0  0
   17.7714   -1.5604    0.2266 H   0  0  0  0  0
   16.1978   -0.7859    0.0801 H   0  0  0  0  0
   18.4418   -0.9028   -1.9841 H   0  0  0  0  0
   17.7363    0.5254   -1.2141 H   0  0  0  0  0
   17.5783    1.3857   -3.5875 H   0  0  0  0  0
   16.1076    1.5924   -5.5575 H   0  0  0  0  0
   14.2571   -0.0217   -5.9087 H   0  0  0  0  0
   13.8710   -1.8356   -4.2781 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  4  1  0  0  0
  2  3  1  0  0  0
  3 37  1  0  0  0
  3 38  1  0  0  0
  3 39  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 40  1  0  0  0
  6  7  2  0  0  0
  6 41  1  0  0  0
  7  8  1  0  0  0
  7 42  1  0  0  0
  8  9  2  0  0  0
  8 43  1  0  0  0
  9 10  1  0  0  0
 10 15  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 44  1  0  0  0
 11 45  1  0  0  0
 12 13  1  0  0  0
 12 46  1  0  0  0
 12 47  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  1  0  0  0
 14 48  1  0  0  0
 14 49  1  0  0  0
 15 50  1  0  0  0
 15 51  1  0  0  0
 16 17  1  0  0  0
 16 52  1  0  0  0
 16 53  1  0  0  0
 17 18  1  0  0  0
 17 54  1  0  0  0
 17 55  1  0  0  0
 18 19  1  0  0  0
 18 56  1  0  0  0
 18 57  1  0  0  0
 19 20  1  0  0  0
 19 58  1  0  0  0
 19 59  1  0  0  0
 20 21  1  0  0  0
 20 60  1  0  0  0
 20 61  1  0  0  0
 21 23  1  0  0  0
 21 22  2  0  0  0
 23 24  1  0  0  0
 23 62  1  0  0  0
 24 25  1  0  0  0
 24 33  1  0  0  0
 24 63  1  0  0  0
 25 26  1  0  0  0
 25 64  1  0  0  0
 25 65  1  0  0  0
 26 27  1  0  0  0
 26 66  1  0  0  0
 26 67  1  0  0  0
 27 28  1  0  0  0
 27 68  1  0  0  0
 27 69  1  0  0  0
 28 29  2  0  0  0
 28 33  1  0  0  0
 29 30  1  0  0  0
 29 70  1  0  0  0
 30 31  2  0  0  0
 30 71  1  0  0  0
 31 32  1  0  0  0
 31 72  1  0  0  0
 32 33  2  0  0  0
 32 73  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL243955

>  <PubChem CID>
23643870

>  <Formula>
C28H40N4O

>  <Molecular Weight>
448.655000

>  <IUPAC Name>
6-[4-[2-(dimethylamino)phenyl]piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN(C)C1=CC=CC=C1N2CCN(CC2)CCCCCC(=O)NC3CCCC4=CC=CC=C34

>  <Isomeric SMILES>
CN(C)C1=CC=CC=C1N2CCN(CC2)CCCCCC(=O)NC3CCCC4=CC=CC=C34

>  <InChI Std. ID>
InChI=1S/C28H40N4O/c1-30(2)26-15-7-8-16-27(26)32-21-19-31(20-22-32)18-9-3-4-17-28(33)29-25-14-10-12-23-11-5-6-13-24(23)25/h5-8,11,13,15-16,25H,3-4,9-10,12,14,17-22H2,1-2H3,(H,29,33)

>  <InChI Key>
AYPZPRUFAPTKJJ-UHFFFAOYSA-N

