LP-44   Click here for help

GtoPdb Ligand ID: 8435

Synonyms: compound 5 [PMID 17649988]
Compound class: Synthetic organic
Comment: LP-44 is a selective serotonin 5-HT7 receptor agonist [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 60.88
Molecular weight 451.27
XLogP 5.73
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CSc1ccccc1N1CCN(CC1)CCCCCC(=O)NC1CCCc2c1cccc2
Isomeric SMILES CSc1ccccc1N1CCN(CC1)CCCCCC(=O)NC1CCCc2c1cccc2
InChI InChI=1S/C27H37N3OS/c1-32-26-15-7-6-14-25(26)30-20-18-29(19-21-30)17-8-2-3-16-27(31)28-24-13-9-11-22-10-4-5-12-23(22)24/h4-7,10,12,14-15,24H,2-3,8-9,11,13,16-21H2,1H3,(H,28,31)
InChI Key JNBBJUHCODFLEG-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
6-[4-(2-methylsulfanylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
Synonyms Click here for help
compound 5 [PMID 17649988]
Database Links Click here for help
ChEMBL Ligand CHEMBL225284
GtoPdb PubChem SID 252166645
PubChem CID 11224758
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