LP-211   

GtoPdb Ligand ID: 8436

Synonyms: compound 25 [PMID 18800769]
Compound class: Synthetic organic
Comment: LP-211 is reported to be a selective agonist of the serotonin 5-HT7 receptor [1].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 11
Topological polar surface area 59.37
Molecular weight 466.27
XLogP 5.77
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES N#Cc1ccc(cc1)CNC(=O)CCCCCN1CCN(CC1)c1ccccc1c1ccccc1
Isomeric SMILES N#Cc1ccc(cc1)CNC(=O)CCCCCN1CCN(CC1)c1ccccc1c1ccccc1
InChI InChI=1S/C30H34N4O/c31-23-25-14-16-26(17-15-25)24-32-30(35)13-5-2-8-18-33-19-21-34(22-20-33)29-12-7-6-11-28(29)27-9-3-1-4-10-27/h1,3-4,6-7,9-12,14-17H,2,5,8,13,18-22,24H2,(H,32,35)
InChI Key BQEDZLDNNBDKDS-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
N-[(4-cyanophenyl)methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide
Synonyms
compound 25 [PMID 18800769]
Database Links
ChEMBL Ligand CHEMBL522691
GtoPdb PubChem SID 252166646
PubChem CID 25107716
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