RS-25344

Ligand id: 6557

Name: RS-25344

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 112.22
Molecular weight 375.1
XLogP 3.36
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[3,2-e]pyrimidine-2,4-dione
Synonyms
RS 25344
Database Links
CAS Registry No. 152814-89-6 (source: Scifinder)
ChEMBL Ligand CHEMBL1232082
PubChem CID 9842556
RCSB PDB Ligand D71
Search Google for chemical match using the InChIKey YLHRMVRLIOIWTO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone YLHRMVRLIOIWTO
Search UniChem for chemical match using the InChIKey YLHRMVRLIOIWTO-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone YLHRMVRLIOIWTO
SynPHARM 78414 (in complex with phosphodiesterase 4D)