GW9662   Click here for help

GtoPdb Ligand ID: 3442

Synonyms: GW 9662 | GW-9662
PDB Ligand
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 72.24
Molecular weight 276.03
XLogP 3.51
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Clc1ccc(cc1C(=O)Nc1ccccc1)[N+](=O)[O-]
Isomeric SMILES Clc1ccc(cc1C(=O)Nc1ccccc1)[N+](=O)[O-]
InChI InChI=1S/C13H9ClN2O3/c14-12-7-6-10(16(18)19)8-11(12)13(17)15-9-4-2-1-3-5-9/h1-8H,(H,15,17)
InChI Key DNTSIBUQMRRYIU-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-Chloro-5-nitro-N-phenylbenzamide
Synonyms Click here for help
GW 9662 | GW-9662
Database Links Click here for help
CAS Registry No. 22978-25-2 (source: Scifinder)
ChEMBL Ligand CHEMBL375270
DrugBank Ligand DB07863
GtoPdb PubChem SID 178100442
PubChem CID 644213
RCSB PDB Ligand GW9
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SynPHARM 8003 (in complex with Peroxisome proliferator-activated receptor-γ)

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Tocris
GW 9662
Cat. No. 1508