MRL20

Ligand id: 6742

Name: MRL20

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-[2-[[1-(4-methoxybenzoyl)-2-methyl-5-(trifluoromethoxy)indol-3-yl]methyl]phenoxy]propanoic acid
Database Links
ChEMBL Ligand CHEMBL181937
PubChem CID 10143056
RCSB PDB Ligand 240
Search Google for chemical match using the InChIKey BWTOBMCYVACNJZ-KRWDZBQOSA-N
Search Google for chemicals with the same backbone BWTOBMCYVACNJZ
Search UniChem for chemical match using the InChIKey BWTOBMCYVACNJZ-KRWDZBQOSA-N
Search UniChem for chemicals with the same backbone BWTOBMCYVACNJZ
SynPHARM 78800 (in complex with Peroxisome proliferator-activated receptor-γ)
Comments
This is compound 20 in [1]