SR12813

Ligand id: 2763

Name: SR12813

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 13
Topological polar surface area 110.91
Molecular weight 504.24
XLogP 5.73
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[2,2-bis(diethoxyphosphoryl)ethenyl]-2,6-ditert-butylphenol
Synonyms
SR 12813 | SR-12813
Database Links
CAS Registry No. 126411-39‚Äč-0
ChEMBL Ligand CHEMBL458767
DrugBank Ligand DB04466
NURSA Ligand 10.1621/O5JSWDM94J
PubChem CID 446313
RCSB PDB Ligand SRL
Search Google for chemical match using the InChIKey YQLJDECYQDRSBI-UHFFFAOYSA-N
Search Google for chemicals with the same backbone YQLJDECYQDRSBI
Search UniChem for chemical match using the InChIKey YQLJDECYQDRSBI-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone YQLJDECYQDRSBI
SynPHARM 6465 (in complex with Pregnane X receptor)