[3H]spiperone   Click here for help

GtoPdb Ligand ID: 3300

Synonyms: [3H]-spiperone
PDB Ligand  Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
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
Click here for help
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 Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Synonyms Click here for help
[3H]-spiperone
Database Links Click here for help
ChEMBL Ligand CHEMBL267930
DrugCentral Ligand 2470
GtoPdb PubChem SID 178100337
PubChem CID 5265
RCSB PDB Ligand SIP
Search Google for chemical match using the InChIKey DKGZKTPJOSAWFA-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DKGZKTPJOSAWFA
Search UniChem for chemical match using the InChIKey DKGZKTPJOSAWFA-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DKGZKTPJOSAWFA