
 CHEMBL222188

 65 68  0  0  0  0  0  0  0  0999 V2000
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  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  3 11  1  0  0  0
  3 35  1  0  0  0
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 29 30  2  0  0  0
 29 64  1  0  0  0
 30 65  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL222188

>  <PubChem CID>
11431530

>  <Formula>
C26H35N3O

>  <Molecular Weight>
405.586000

>  <IUPAC Name>
6-(4-phenylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

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

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

>  <InChI Std. ID>
InChI=1S/C26H35N3O/c30-26(27-25-15-9-11-22-10-6-7-14-24(22)25)16-5-2-8-17-28-18-20-29(21-19-28)23-12-3-1-4-13-23/h1,3-4,6-7,10,12-14,25H,2,5,8-9,11,15-21H2,(H,27,30)

>  <InChI Key>
OPNMLXKOFJADTH-UHFFFAOYSA-N

