
 CHEMBL3983496

 80 83  0  0  0  0  0  0  0  0999 V2000
    7.2969    3.9926  -11.8163 C   0  0  0  0  0
    7.9979    3.8552  -10.5896 O   0  0  0  0  0
    7.2017    3.2068   -9.6011 C   0  0  0  0  0
    7.9154    3.0317   -8.3773 O   0  0  0  0  0
    8.1376    4.1592   -7.6370 C   0  0  0  0  0
    9.3626    4.2077   -6.9705 C   0  0  0  0  0
    9.6787    5.2855   -6.1397 C   0  0  0  0  0
    8.7624    6.3277   -5.9532 C   0  0  0  0  0
    7.5253    6.2624   -6.6097 C   0  0  0  0  0
    7.2127    5.1833   -7.4440 C   0  0  0  0  0
    9.0884    7.4893   -5.0525 C   0  0  0  0  0
    8.3389    7.4278   -3.8146 N   0  0  0  0  0
    8.7506    7.0243   -2.5782 C   0  0  0  0  0
    7.9287    6.9534   -1.6663 O   0  0  0  0  0
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   11.0439    7.9882   -2.2347 C   0  0  0  0  0
   12.5359    7.6673   -2.2817 C   0  0  0  0  0
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   15.7442    9.6421   -2.9394 N   0  0  0  0  0
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   16.5061   10.7262   -0.7436 C   0  0  0  0  0
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   21.7218    8.9659   -1.6291 C   0  0  0  0  0
   22.3400    8.8311   -2.8751 C   0  0  0  0  0
   22.1197    9.7726   -3.8787 C   0  0  0  0  0
   21.2558   10.8392   -3.6362 C   0  0  0  0  0
   20.6323   10.9711   -2.3873 C   0  0  0  0  0
   22.7778    9.5271   -5.0516 O   0  0  0  0  0
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    7.9836    4.3993  -12.5626 H   0  0  0  0  0
    6.4598    4.6878  -11.6966 H   0  0  0  0  0
    6.9332    3.0234  -12.1700 H   0  0  0  0  0
    6.9604    2.1989   -9.9578 H   0  0  0  0  0
    6.2493    3.7290   -9.4560 H   0  0  0  0  0
   10.0792    3.4015   -7.1058 H   0  0  0  0  0
   10.6444    5.2989   -5.6418 H   0  0  0  0  0
    6.7878    7.0500   -6.4679 H   0  0  0  0  0
    6.2304    5.1589   -7.9017 H   0  0  0  0  0
    8.8150    8.4260   -5.5504 H   0  0  0  0  0
   10.1635    7.5328   -4.8625 H   0  0  0  0  0
    7.3395    7.5719   -3.8655 H   0  0  0  0  0
   10.5661    6.0670   -3.1583 H   0  0  0  0  0
   10.2966    6.1239   -1.4291 H   0  0  0  0  0
   10.8033    8.5002   -1.2952 H   0  0  0  0  0
   10.7903    8.6920   -3.0356 H   0  0  0  0  0
   12.7395    7.0000   -3.1286 H   0  0  0  0  0
   12.8235    7.1282   -1.3708 H   0  0  0  0  0
   13.1602    9.6291   -1.6238 H   0  0  0  0  0
   13.1246    9.4261   -3.3805 H   0  0  0  0  0
   15.0091    7.6957   -3.0795 H   0  0  0  0  0
   15.1606    8.2543   -1.4188 H   0  0  0  0  0
   14.7468   11.2264   -1.9205 H   0  0  0  0  0
   16.2554   11.6508   -2.6767 H   0  0  0  0  0
   16.5462   11.7216   -0.2843 H   0  0  0  0  0
   15.9327   10.0635   -0.0841 H   0  0  0  0  0
   18.8855    8.5817   -1.9533 H   0  0  0  0  0
   17.4002    8.1467   -1.1385 H   0  0  0  0  0
   17.7009    9.8890   -3.6621 H   0  0  0  0  0
   17.1649    8.2255   -3.6494 H   0  0  0  0  0
   17.2455   10.4713    1.6758 H   0  0  0  0  0
   18.7599   10.5957    3.5652 H   0  0  0  0  0
   21.2129   10.4441    3.2271 H   0  0  0  0  0
   22.1204   10.1904    0.9603 H   0  0  0  0  0
   21.9094    8.2128   -0.8665 H   0  0  0  0  0
   23.0015    7.9889   -3.0596 H   0  0  0  0  0
   21.0297   11.5768   -4.3990 H   0  0  0  0  0
   19.9510   11.8037   -2.2183 H   0  0  0  0  0
   23.5997   10.3304   -6.7386 H   0  0  0  0  0
   23.4113   11.4817   -5.4089 H   0  0  0  0  0
   21.9809   10.9334   -6.3678 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3983496

>  <PubChem CID>
134157171

>  <Formula>
C32H41N3O4

>  <Molecular Weight>
531.697000

>  <IUPAC Name>
N-[[4-(methoxymethoxy)phenyl]methyl]-6-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]hexanamide

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
COCOC1=CC=C(C=C1)CNC(=O)CCCCCN2CCN(CC2)C3=CC=CC=C3C4=CC=C(C=C4)OC

>  <Isomeric SMILES>
COCOC1=CC=C(C=C1)CNC(=O)CCCCCN2CCN(CC2)C3=CC=CC=C3C4=CC=C(C=C4)OC

>  <InChI Std. ID>
InChI=1S/C32H41N3O4/c1-37-25-39-29-15-11-26(12-16-29)24-33-32(36)10-4-3-7-19-34-20-22-35(23-21-34)31-9-6-5-8-30(31)27-13-17-28(38-2)18-14-27/h5-6,8-9,11-18H,3-4,7,10,19-25H2,1-2H3,(H,33,36)

>  <InChI Key>
AKRZFAUTJFZOAO-UHFFFAOYSA-N

