
 CHEMBL268597

 86 89  0  0  0  0  0  0  0  0999 V2000
    4.1957    3.2223   -4.2811 C   0  0  0  0  0
    3.7398    2.0665   -3.5867 O   0  0  0  0  0
    3.5346    2.2169   -2.2379 C   0  0  0  0  0
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    3.6667    1.0676   -1.4370 C   0  0  0  0  0
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    1.9379    4.8455    1.2851 O   0  0  0  0  0
    3.4778    5.9648   -0.0252 N   0  0  0  0  0
    4.8031    5.9374   -0.6687 C   0  0  0  0  0
    4.9811    7.1327   -1.6171 C   0  0  0  0  0
    4.7839    8.3868   -0.8721 N   0  0  0  0  0
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    5.0165    3.7186   -3.7502 H   0  0  0  0  0
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    4.9927    5.0130   -1.2099 H   0  0  0  0  0
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    2.7497    8.3146   -1.1798 H   0  0  0  0  0
    3.7656    7.3199    1.5321 H   0  0  0  0  0
    2.0964    7.2366    0.9460 H   0  0  0  0  0
    3.2476   10.6492   -0.2818 H   0  0  0  0  0
    3.4513    9.9300    1.3152 H   0  0  0  0  0
   -0.7504   10.1155    1.0519 H   0  0  0  0  0
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   -2.7872   11.3599   -2.4609 H   0  0  0  0  0
   -1.1497   10.8118   -2.7811 H   0  0  0  0  0
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   -2.7253    9.0275   -3.3446 H   0  0  0  0  0
   -1.9184    7.2084   -1.8553 H   0  0  0  0  0
   -0.6000    8.2586   -2.3598 H   0  0  0  0  0
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    6.6435    9.2810   -2.7672 H   0  0  0  0  0
    8.1134    8.5389    1.1875 H   0  0  0  0  0
   11.4870    7.5605    2.1529 H   0  0  0  0  0
    9.9181    6.8597    1.7350 H   0  0  0  0  0
   10.0412    8.5551    2.3528 H   0  0  0  0  0
   12.5134    6.9638   -2.6738 H   0  0  0  0  0
   11.3777    6.5196   -1.4003 H   0  0  0  0  0
   12.6083    7.8163   -1.1325 H   0  0  0  0  0
    9.6221    6.9999   -4.2300 H   0  0  0  0  0
   10.6244    8.3968   -4.7922 H   0  0  0  0  0
    9.2128    7.8735   -5.7077 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL268597

>  <PubChem CID>
3075895

>  <Formula>
C32H42N2O10

>  <Molecular Weight>
614.692000

>  <IUPAC Name>
[1,4-bis(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl cyclohexanecarboxylate

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(C(C2)COC(=O)C3CCCCC3)C(=O)C4=CC(=C(C(=C4)OC)OC)OC

>  <Isomeric SMILES>
COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(C(C2)COC(=O)C3CCCCC3)C(=O)C4=CC(=C(C(=C4)OC)OC)OC

>  <InChI Std. ID>
InChI=1S/C32H42N2O10/c1-38-24-14-21(15-25(39-2)28(24)42-5)30(35)33-12-13-34(23(18-33)19-44-32(37)20-10-8-7-9-11-20)31(36)22-16-26(40-3)29(43-6)27(17-22)41-4/h14-17,20,23H,7-13,18-19H2,1-6H3

>  <InChI Key>
BLDZWCUVWBMDLL-UHFFFAOYSA-N

