[3H]GBR12935   Click here for help

GtoPdb Ligand ID: 4638

Synonyms: [3H]-GBR12935
 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 3
Hydrogen bond donors 0
Rotatable bonds 10
Topological polar surface area 15.71
Molecular weight 414.27
XLogP 5.03
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES c1ccc(cc1)CCCN1CCN(CC1)CCOC(c1ccccc1)c1ccccc1
Isomeric SMILES c1ccc(cc1)CCCN1CCN(CC1)CCOC(c1ccccc1)c1ccccc1
InChI InChI=1S/C28H34N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28H,10,13,18-24H2
InChI Key RAQPOZGWANIDQT-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-[2-(diphenylmethoxy)ethyl]-4-(3-phenylpropyl)piperazine
Synonyms Click here for help
[3H]-GBR12935
Database Links Click here for help
ChEMBL Ligand CHEMBL26320
GtoPdb PubChem SID 178101356
PubChem CID 3456
Search Google for chemical match using the InChIKey RAQPOZGWANIDQT-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RAQPOZGWANIDQT
UniChem Compound Search for chemical match using the InChIKey RAQPOZGWANIDQT-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey RAQPOZGWANIDQT-UHFFFAOYSA-N