
 CHEMBL225441

 70 73  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL225441

>  <PubChem CID>
11432453

>  <Formula>
C27H37N3O3

>  <Molecular Weight>
451.611000

>  <IUPAC Name>
5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1=CC=CC=C1N2CCN(CC2)CCCCC(=O)NC3CCCC4=C3C(=CC=C4)OC

>  <Isomeric SMILES>
COC1=CC=CC=C1N2CCN(CC2)CCCCC(=O)NC3CCCC4=C3C(=CC=C4)OC

>  <InChI Std. ID>
InChI=1S/C27H37N3O3/c1-32-24-13-4-3-12-23(24)30-19-17-29(18-20-30)16-6-5-15-26(31)28-22-11-7-9-21-10-8-14-25(33-2)27(21)22/h3-4,8,10,12-14,22H,5-7,9,11,15-20H2,1-2H3,(H,28,31)

>  <InChI Key>
BUMLEIQSRWKWTF-UHFFFAOYSA-N

