RS-100329

Ligand id: 7381

Name: RS-100329

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 65.12
Molecular weight 426.19
XLogP 2.87
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-methyl-3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione
Synonyms
RS 100329 | RS100329
Database Links
CAS Registry No. 232953-52-5 (source: SciFinder)
ChEMBL Ligand CHEMBL56331
PubChem CID 3567002
Search Google for chemical match using the InChIKey RCOBWVAGWYRNHZ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RCOBWVAGWYRNHZ
Search UniChem for chemical match using the InChIKey RCOBWVAGWYRNHZ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone RCOBWVAGWYRNHZ
Comments
RS-100329 is an α1A-adrenoceptor selective antagonist .