RO4988546

Ligand id: 6324

Name: RO4988546

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 105.83
Molecular weight 512.04
XLogP 5.11
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-{2-[7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl}pyridine-3-sulfonic acid
Synonyms
Ro4988546
Database Links
CAS Registry No. 911114-85-7 (source: Scifinder)
PubChem CID 73755205
Search Google for chemical match using the InChIKey VAQSOLIIQORHSP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VAQSOLIIQORHSP
Search UniChem for chemical match using the InChIKey VAQSOLIIQORHSP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone VAQSOLIIQORHSP