
 CHEMBL244161

 70 73  0  0  0  0  0  0  0  0999 V2000
    2.0756   -8.2715    0.8158 C   0  0  0  0  0
    3.1929   -7.3586    0.7187 N   0  0  0  0  0
    4.1481   -7.2880    1.7538 C   0  0  0  0  0
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    5.4586   -5.5905   -0.4741 C   0  0  0  0  0
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    6.6868   -5.2682    2.8848 H   0  0  0  0  0
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    6.5235   -5.8237   -0.3473 H   0  0  0  0  0
    5.6752   -4.8865   -2.5222 H   0  0  0  0  0
    4.2013   -4.3890   -1.7581 H   0  0  0  0  0
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    4.1204   -2.5932   -0.1826 H   0  0  0  0  0
    6.3516   -3.7531    1.5361 H   0  0  0  0  0
    4.6868   -3.4107    2.0335 H   0  0  0  0  0
    7.6361   -3.8587   -0.2775 H   0  0  0  0  0
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    8.9866   -5.5547   -4.1381 H   0  0  0  0  0
   10.3041   -6.1641   -3.1158 H   0  0  0  0  0
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   11.4818   -6.9391   -7.4128 H   0  0  0  0  0
    9.2347   -8.0873   -7.6115 H   0  0  0  0  0
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    9.4566   -9.6531   -5.6740 H   0  0  0  0  0
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   10.9867  -11.4554   -5.6502 H   0  0  0  0  0
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   15.6434  -10.4098   -5.2267 H   0  0  0  0  0
   15.6903   -7.9438   -5.4982 H   0  0  0  0  0
   13.6492   -6.7328   -6.1707 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
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  3  4  2  0  0  0
  3  8  1  0  0  0
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  4 37  1  0  0  0
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  7 40  1  0  0  0
  8  9  1  0  0  0
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  9 10  1  0  0  0
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 30 31  1  0  0  0
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 31 32  2  0  0  0
 31 70  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL244161

>  <PubChem CID>
24768520

>  <Formula>
C27H38N4O

>  <Molecular Weight>
434.628000

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

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CNC1=CC=CC=C1N2CCN(CC2)CCCCCC(=O)NC3CCCC4=CC=CC=C34

>  <Isomeric SMILES>
CNC1=CC=CC=C1N2CCN(CC2)CCCCCC(=O)NC3CCCC4=CC=CC=C34

>  <InChI Std. ID>
InChI=1S/C27H38N4O/c1-28-25-13-6-7-15-26(25)31-20-18-30(19-21-31)17-8-2-3-16-27(32)29-24-14-9-11-22-10-4-5-12-23(22)24/h4-7,10,12-13,15,24,28H,2-3,8-9,11,14,16-21H2,1H3,(H,29,32)

>  <InChI Key>
MOARTSKNGANIHC-UHFFFAOYSA-N

