nTzDpa

Ligand id: 2699

Name: nTzDpa

Abbreviated name: NZA

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 67.53
Molecular weight 427.02
XLogP 7
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-chloro-1-[(4-chlorophenyl)methyl]-3-(phenylsulfanyl)-1H-indole-2-carboxylic acid
Database Links
BindingDB Ligand 50173365
CAS Registry No. 118414-59-8 (source: Scifinder)
ChEMBL Ligand CHEMBL370152
NURSA Ligand 10.1621/E48P5SCTQ7
PubChem CID 9954280
RCSB PDB Ligand NZA
Search Google for chemical match using the InChIKey VUPOTURDKDMIGQ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VUPOTURDKDMIGQ
Search UniChem for chemical match using the InChIKey VUPOTURDKDMIGQ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone VUPOTURDKDMIGQ
SynPHARM 6344 (in complex with Peroxisome proliferator-activated receptor-γ)