Ro-70-0004

Ligand id: 497

Name: Ro-70-0004

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 444.18
XLogP 2.83
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-[3-[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-5-methyl-1H-pyrimidine-2,4-dione
Synonyms
Ro-700004 | RS-100975
Database Links
BindingDB Ligand 50160152
ChEMBL Ligand CHEMBL24777
PubChem CID 9872515
Search Google for chemical match using the InChIKey WEZFJPKJUIGDPS-UHFFFAOYSA-N
Search Google for chemicals with the same backbone WEZFJPKJUIGDPS
Search UniChem for chemical match using the InChIKey WEZFJPKJUIGDPS-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone WEZFJPKJUIGDPS