[11C]WAY100635   

GtoPdb Ligand ID: 3252

Synonyms: [11C]WAY-100635 | [11C]WAY100635 (PET ligand)
   
Compound class: Synthetic organic
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 8
Topological polar surface area 48.91
Molecular weight 422.27
XLogP 4.51
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1
Isomeric SMILES COc1ccccc1N1CCN(CC1)CCN([11C](=O)C1CCCCC1)c1ccccn1
InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3/i25-1
InChI Key SBPRIAGPYFYCRT-FNNGWQQSSA-N
Classification
Compound class Synthetic organic
IUPAC Name
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
Synonyms
[11C]WAY-100635 | [11C]WAY100635 (PET ligand)
Database Links
GtoPdb PubChem SID 178100297
PubChem CID 449645
Search Google for chemical match using the InChIKey SBPRIAGPYFYCRT-FNNGWQQSSA-N
Search Google for chemicals with the same backbone SBPRIAGPYFYCRT
Search UniChem for chemical match using the InChIKey SBPRIAGPYFYCRT-FNNGWQQSSA-N
Search UniChem for chemicals with the same backbone SBPRIAGPYFYCRT