MRL24

Ligand id: 6743

Name: MRL24

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 86.99
Molecular weight 527.16
XLogP 7.24
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-2-[3-[[1-(4-methoxybenzoyl)-2-methyl-5-(trifluoromethoxy)indol-3- yl]methyl]phenoxy]propanoic acid
Synonyms
MRL 24
Database Links
CAS Registry No. 393794-17-7 (source: Scifinder)
ChEMBL Ligand CHEMBL179330
PubChem CID 9958543
RCSB PDB Ligand 241
Search Google for chemical match using the InChIKey OFCWBJAYEIROGZ-KRWDZBQOSA-N
Search Google for chemicals with the same backbone OFCWBJAYEIROGZ
Search UniChem for chemical match using the InChIKey OFCWBJAYEIROGZ-KRWDZBQOSA-N
Search UniChem for chemicals with the same backbone OFCWBJAYEIROGZ
Comments
This is compound 24 in [1]