GW6471   Click here for help

GtoPdb Ligand ID: 3440

Synonyms: GW 6471 | GW-6471
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 16
Topological polar surface area 93.46
Molecular weight 619.27
XLogP 6.81
No. Lipinski's rules broken 2
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Canonical SMILES CCC(=O)NCC(Cc1ccc(cc1)OCCc1nc(oc1C)c1ccccc1)NC(=CC(=O)c1ccc(cc1)C(F)(F)F)C
Isomeric SMILES CCC(=O)NC[C@H](Cc1ccc(cc1)OCCc1nc(oc1C)c1ccccc1)N/C(=C\C(=O)c1ccc(cc1)C(F)(F)F)/C
InChI InChI=1S/C35H36F3N3O4/c1-4-33(43)39-22-29(40-23(2)20-32(42)26-12-14-28(15-13-26)35(36,37)38)21-25-10-16-30(17-11-25)44-19-18-31-24(3)45-34(41-31)27-8-6-5-7-9-27/h5-17,20,29,40H,4,18-19,21-22H2,1-3H3,(H,39,43)/b23-20-/t29-/m0/s1
Classification Click here for help
Compound class Synthetic organic
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Synonyms Click here for help
GW 6471 | GW-6471
Database Links Click here for help
CAS Registry No. 880635-03-0 (source: Scifinder)
ChEMBL Ligand CHEMBL500272
GtoPdb PubChem SID 178100440
PubChem CID 446738
RCSB PDB Ligand 471
Search Google for chemical match using the InChIKey TYEFSRMOUXWTDN-DYQICHDWSA-N
Search Google for chemicals with the same backbone TYEFSRMOUXWTDN
SynPHARM 7986 (in complex with Peroxisome proliferator-activated receptor-α)
UniChem Compound Search for chemical match using the InChIKey TYEFSRMOUXWTDN-DYQICHDWSA-N
UniChem Connectivity Search for chemical match using the InChIKey TYEFSRMOUXWTDN-DYQICHDWSA-N

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GW 6471 (links to external site)
Cat. No. 4618