GW2433   Click here for help

GtoPdb Ligand ID: 2716

Synonyms: GW 2433 | GW-2433
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 5
Hydrogen bond donors 2
Rotatable bonds 13
Topological polar surface area 78.87
Molecular weight 580.11
XLogP 7.11
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES O=C(N(CCc1c(F)cccc1Cl)CCCc1ccc(cc1)OC(C(=O)O)(C)C)Nc1cccc(c1Cl)Cl
Isomeric SMILES O=C(N(CCc1c(F)cccc1Cl)CCCc1ccc(cc1)OC(C(=O)O)(C)C)Nc1cccc(c1Cl)Cl
InChI InChI=1S/C28H28Cl3FN2O4/c1-28(2,26(35)36)38-19-13-11-18(12-14-19)6-5-16-34(17-15-20-21(29)7-3-9-23(20)32)27(37)33-24-10-4-8-22(30)25(24)31/h3-4,7-14H,5-6,15-17H2,1-2H3,(H,33,37)(H,35,36)
InChI Key YMWJDWJXIXITMD-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[4-[3-[2-(2-chloro-6-fluorophenyl)ethyl-[(2,3-dichlorophenyl)carbamoyl]amino]propyl]phenoxy]-2-methylpropanoic acid
Synonyms Click here for help
GW 2433 | GW-2433
Database Links Click here for help
BindingDB Ligand 28662
ChEMBL Ligand CHEMBL435278
GtoPdb PubChem SID 135650332
PubChem CID 1517
RCSB PDB Ligand 433
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SynPHARM 6325 (in complex with Peroxisome proliferator-activated receptor-β/δ)