
 CHEMBL390558

 73 76  0  0  0  0  0  0  0  0999 V2000
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    9.7325   -4.7230   -4.6949 H   0  0  0  0  0
   12.1490   -4.5085   -4.6566 H   0  0  0  0  0
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   12.6489   -2.7076   -0.2529 H   0  0  0  0  0
   14.8513   -3.2018   -1.4055 H   0  0  0  0  0
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   12.7856   -8.5224    3.7070 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL390558

>  <PubChem CID>
11341035

>  <Formula>
C28H39N3O3

>  <Molecular Weight>
465.638000

>  <IUPAC Name>
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1=CC=CC=C1N2CCN(CC2)CCCCCC(=O)NC3CCCC4=C3C=CC=C4OC

>  <Isomeric SMILES>
COC1=CC=CC=C1N2CCN(CC2)CCCCCC(=O)NC3CCCC4=C3C=CC=C4OC

>  <InChI Std. ID>
InChI=1S/C28H39N3O3/c1-33-26-15-9-10-22-23(26)11-8-12-24(22)29-28(32)16-4-3-7-17-30-18-20-31(21-19-30)25-13-5-6-14-27(25)34-2/h5-6,9-10,13-15,24H,3-4,7-8,11-12,16-21H2,1-2H3,(H,29,32)

>  <InChI Key>
ALCLLRWUTXXWDO-UHFFFAOYSA-N

