BMS614

Ligand id: 2643

Name: BMS614

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 79.29
Molecular weight 448.18
XLogP 8.42
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[(5,5-dimethyl-8-quinolin-3-yl6H-naphthalene-2-carbonyl)amino]benzoic acid
Synonyms
BMS 614 | BMS-614
Database Links
BindingDB Ligand 36811
CAS Registry No. 182135-66-6 (source: Scifinder)
ChEMBL Ligand CHEMBL2385269
PubChem CID 445091
Search Google for chemical match using the InChIKey WGLMBRZXZDAQHP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone WGLMBRZXZDAQHP
Search UniChem for chemical match using the InChIKey WGLMBRZXZDAQHP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone WGLMBRZXZDAQHP
SynPHARM 6273 (in complex with Retinoic acid receptor-α)