
 CHEMBL222477

 65 68  0  0  0  0  0  0  0  0999 V2000
   -1.8084  -10.3222    0.0505 C   0  0  0  0  0
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   -6.0202   -5.9753   -6.0156 H   0  0  0  0  0
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   -8.2575   -1.0940  -12.5326 H   0  0  0  0  0
  1  2  1  0  0  0
  1 10  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  2 35  1  0  0  0
  3  4  1  0  0  0
  3 11  1  0  0  0
  3 36  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  6  7  2  0  0  0
  6 38  1  0  0  0
  7  8  1  0  0  0
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  9 10  1  0  0  0
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 25 26  2  0  0  0
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 29 30  2  0  0  0
 29 65  1  0  0  0
 30 31  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL222477

>  <PubChem CID>
11385992

>  <Formula>
C26H34ClN3O

>  <Molecular Weight>
440.028000

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

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CC(C2=CC=CC=C2C1)NC(=O)CCCCCN3CCN(CC3)C4=CC=CC=C4Cl

>  <Isomeric SMILES>
C1CC(C2=CC=CC=C2C1)NC(=O)CCCCCN3CCN(CC3)C4=CC=CC=C4Cl

>  <InChI Std. ID>
InChI=1S/C26H34ClN3O/c27-23-12-5-6-14-25(23)30-19-17-29(18-20-30)16-7-1-2-15-26(31)28-24-13-8-10-21-9-3-4-11-22(21)24/h3-6,9,11-12,14,24H,1-2,7-8,10,13,15-20H2,(H,28,31)

>  <InChI Key>
OVYNZBZCWFALNG-UHFFFAOYSA-N

