farglitazar   Click here for help

GtoPdb Ligand ID: 2672

Synonyms: GI-262570X
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 12
Topological polar surface area 101.66
Molecular weight 546.22
XLogP 7.13
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)C(Nc1ccccc1C(=O)c1ccccc1)Cc1ccc(cc1)OCCc1nc(oc1C)c1ccccc1
Isomeric SMILES OC(=O)[C@@H](Nc1ccccc1C(=O)c1ccccc1)Cc1ccc(cc1)OCCc1nc(oc1C)c1ccccc1
InChI InChI=1S/C34H30N2O5/c1-23-29(36-33(41-23)26-12-6-3-7-13-26)20-21-40-27-18-16-24(17-19-27)22-31(34(38)39)35-30-15-9-8-14-28(30)32(37)25-10-4-2-5-11-25/h2-19,31,35H,20-22H2,1H3,(H,38,39)/t31-/m0/s1
InChI Key ZZCHHVUQYRMYLW-HKBQPEDESA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2S)-2-[[2-(benzoyl)phenyl]amino]-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid
International Nonproprietary Names Click here for help
INN number INN
8064 farglitazar
Synonyms Click here for help
GI-262570X
Database Links Click here for help
BindingDB Ligand 50085044
CAS Registry No. 196808-45-4 (source: Scifinder)
ChEMBL Ligand CHEMBL107367
GtoPdb PubChem SID 135650251
PubChem CID 170364
RCSB PDB Ligand 570
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SynPHARM 6362 (in complex with Peroxisome proliferator-activated receptor-γ)
Wikipedia Farglitazar