PA451

Ligand id: 2815

Name: PA451

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 75.55
Molecular weight 425.27
XLogP 7.28
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[methyl-(5,5,8,8-tetramethyl-3-pentoxy-6, 7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid
Synonyms
PA 451
Database Links
CAS Registry No. 457657-33-9 (source: Scifinder)
ChEMBL Ligand CHEMBL332486
PubChem CID 9823741
Search Google for chemical match using the InChIKey PMHLEYZHMPYVLJ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone PMHLEYZHMPYVLJ
Search UniChem for chemical match using the InChIKey PMHLEYZHMPYVLJ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone PMHLEYZHMPYVLJ