BMS compound 16 [PMID:23368907]

Ligand id: 5808

Name: BMS compound 16 [PMID:23368907]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 72.48
Molecular weight 445.16
XLogP 7.82
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[2-(2-tert-butylphenoxy)pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
Synonyms
BPTU
Database Links
ChEMBL Ligand CHEMBL2333770
PubChem CID 11510579
RCSB PDB Ligand BUR
Search Google for chemical match using the InChIKey AHFLGPTXSIRAQK-UHFFFAOYSA-N
Search Google for chemicals with the same backbone AHFLGPTXSIRAQK
Search UniChem for chemical match using the InChIKey AHFLGPTXSIRAQK-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone AHFLGPTXSIRAQK
SynPHARM 76926 (in complex with P2Y1 receptor)