AUY954

Ligand id: 2925

Name: AUY954

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 77.57
Molecular weight 455.12
XLogP 8.51
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-[[2-[4-phenyl-3-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methylamino]propanoic acid
Synonyms
AUY 954
Database Links
CAS Registry No. 820240-77-5 (source: Scifinder)
PubChem CID 11259583
Search Google for chemical match using the InChIKey SKYYWSWIUKISCX-UHFFFAOYSA-N
Search Google for chemicals with the same backbone SKYYWSWIUKISCX
Search UniChem for chemical match using the InChIKey SKYYWSWIUKISCX-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone SKYYWSWIUKISCX
Comments
An aminocarboxylate analog of fingolimod