
 CHEMBL389110

 72 75  0  0  0  0  0  0  0  0999 V2000
    1.0780    1.5666    1.9036 C   0  0  0  0  0
    2.5324    1.1932    1.7636 C   0  0  0  0  0
    3.0819    0.4800    2.5941 O   0  0  0  0  0
    3.1004    1.7445    0.6378 N   0  0  0  0  0
    4.4289    1.6287    0.1723 C   0  0  0  0  0
    5.3317    0.6924    0.6824 C   0  0  0  0  0
    6.5979    0.5605    0.1144 C   0  0  0  0  0
    6.9676    1.3679   -0.9564 C   0  0  0  0  0
    6.0767    2.3213   -1.4589 C   0  0  0  0  0
    4.7971    2.4811   -0.9070 C   0  0  0  0  0
    3.8845    3.4436   -1.3790 N   0  0  0  0  0
    3.6015    4.5657   -0.4469 C   0  0  0  0  0
    4.2179    5.9116   -0.8928 C   0  0  0  0  0
    3.9933    6.2731   -2.3135 N   0  0  0  0  0
    4.5145    5.1486   -3.1239 C   0  0  0  0  0
    3.8720    3.7779   -2.8178 C   0  0  0  0  0
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    0.7931    7.3439   -4.2016 C   0  0  0  0  0
    0.5270    7.8086   -5.6348 C   0  0  0  0  0
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   -1.9315    6.6314  -10.4929 C   0  0  0  0  0
   -3.0542    7.3648  -10.0697 C   0  0  0  0  0
    0.9116    2.6047    1.6002 H   0  0  0  0  0
    0.7761    1.4686    2.9503 H   0  0  0  0  0
    0.4713    0.9002    1.2855 H   0  0  0  0  0
    2.5343    2.3429    0.0465 H   0  0  0  0  0
    5.0615    0.0288    1.4977 H   0  0  0  0  0
    7.2888   -0.1829    0.5039 H   0  0  0  0  0
    7.9536    1.2590   -1.4010 H   0  0  0  0  0
    6.4141    2.9471   -2.2784 H   0  0  0  0  0
    3.9492    4.3524    0.5718 H   0  0  0  0  0
    2.5120    4.6719   -0.3811 H   0  0  0  0  0
    3.8463    6.7127   -0.2415 H   0  0  0  0  0
    5.3015    5.8743   -0.7176 H   0  0  0  0  0
    4.4284    5.3679   -4.1928 H   0  0  0  0  0
    5.5960    5.0836   -2.9450 H   0  0  0  0  0
    2.8256    3.7898   -3.1449 H   0  0  0  0  0
    4.3518    2.9994   -3.4236 H   0  0  0  0  0
    2.2611    7.3716   -1.8735 H   0  0  0  0  0
    1.9276    5.7132   -2.3438 H   0  0  0  0  0
    2.5938    6.3096   -4.7205 H   0  0  0  0  0
    2.8674    7.9716   -4.1895 H   0  0  0  0  0
    0.4521    8.1104   -3.4955 H   0  0  0  0  0
    0.2180    6.4330   -3.9959 H   0  0  0  0  0
    0.9630    7.0930   -6.3437 H   0  0  0  0  0
    1.0383    8.7648   -5.8019 H   0  0  0  0  0
   -1.4289    8.6543   -5.2331 H   0  0  0  0  0
   -1.4613    6.9777   -5.8162 H   0  0  0  0  0
   -3.0245    7.4963   -7.3697 H   0  0  0  0  0
   -2.0513    9.1908   -9.6334 H   0  0  0  0  0
   -3.9908   10.2038   -8.2896 H   0  0  0  0  0
   -4.1905   10.0518  -10.0341 H   0  0  0  0  0
   -6.2283    9.3154   -8.8033 H   0  0  0  0  0
   -5.2925    8.0713   -7.9789 H   0  0  0  0  0
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   -6.3884    7.0203   -9.8510 H   0  0  0  0  0
   -5.4488    5.5185  -11.6637 H   0  0  0  0  0
   -3.4548    4.2639  -12.3942 H   0  0  0  0  0
   -1.1965    4.9687  -11.6487 H   0  0  0  0  0
   -0.9336    6.9395  -10.1835 H   0  0  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
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 26 27  1  0  0  0
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 32 33  1  0  0  0
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 33 34  2  0  0  0
 33 72  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL389110

>  <PubChem CID>
24768522

>  <Formula>
C28H38N4O2

>  <Molecular Weight>
462.638000

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

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(=O)NC1=CC=CC=C1N2CCN(CC2)CCCCCC(=O)NC3CCCC4=CC=CC=C34

>  <Isomeric SMILES>
CC(=O)NC1=CC=CC=C1N2CCN(CC2)CCCCCC(=O)NC3CCCC4=CC=CC=C34

>  <InChI Std. ID>
InChI=1S/C28H38N4O2/c1-22(33)29-26-13-6-7-15-27(26)32-20-18-31(19-21-32)17-8-2-3-16-28(34)30-25-14-9-11-23-10-4-5-12-24(23)25/h4-7,10,12-13,15,25H,2-3,8-9,11,14,16-21H2,1H3,(H,29,33)(H,30,34)

>  <InChI Key>
DFLMNRNLACOXKM-UHFFFAOYSA-N

