RO5101576

Ligand id: 6158

Name: RO5101576

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 18
Topological polar surface area 139.76
Molecular weight 630.23
XLogP 8.8
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-(3-{6-[3-(2H-1,3-benzodioxol-5-yl)-5-(thiophen-3-yl)phenoxy]hexyl}-2-(2-carboxyethyl)phenoxy)butanoic acid
Synonyms
Ro 5101576
Database Links
CAS Registry No. 1123155-95-2 (source: Scifinder)
ChEMBL Ligand CHEMBL1098560
PubChem CID 25192022
Search Google for chemical match using the InChIKey SRPFDFNVILUDAI-UHFFFAOYSA-N
Search Google for chemicals with the same backbone SRPFDFNVILUDAI
Search UniChem for chemical match using the InChIKey SRPFDFNVILUDAI-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone SRPFDFNVILUDAI