spiperone   

GtoPdb Ligand ID: 99

Synonyms: R-5147 | spiroperidol | spiropitan
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 52.65
Molecular weight 395.2
XLogP 3.64
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1
Isomeric SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1
InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
InChI Key DKGZKTPJOSAWFA-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
International Nonproprietary Names
INN number INN
1553 spiperone
Synonyms
R-5147 | spiroperidol | spiropitan
Database Links
BindingDB Ligand 31343
CAS Registry No. 749-02-0
ChEBI CHEBI:9233
ChEMBL Ligand CHEMBL267930
DrugCentral Ligand 2470
GtoPdb PubChem SID 135651064
PubChem CID 5265
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Wikipedia Spiperone