BMS270394

Ligand id: 2653

Name: BMS270394

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 86.63
Molecular weight 399.18
XLogP 6.88
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-fluoro-4-[[(2R)-2-hydroxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetyl]amino]benzoic acid
Synonyms
BMS 270394 | BMS 961 | BMS-270394
Database Links
BindingDB Ligand 31889
CAS Registry No. 262433-54-5 (source: Scifinder)
DrugBank Ligand DB07031
GtoPdb PubChem SID 135650002
PubChem CID 445455
RCSB PDB Ligand 394
Search Google for chemical match using the InChIKey AANFHDFOMFRLLR-LJQANCHMSA-N
Search Google for chemicals with the same backbone AANFHDFOMFRLLR
Search UniChem for chemical match using the InChIKey AANFHDFOMFRLLR-LJQANCHMSA-N
Search UniChem for chemicals with the same backbone AANFHDFOMFRLLR
SynPHARM 6292 (in complex with Retinoic acid receptor-γ)