LY-510929   Click here for help

GtoPdb Ligand ID: 2657

Synonyms: LY 510929 | LY510929
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 110.03
Molecular weight 463.15
XLogP 4.59
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)C(Oc1ccccc1)(Cc1ccc(cc1)OCCc1nc(oc1C)c1cccs1)C
Isomeric SMILES OC(=O)[C@@](Oc1ccccc1)(Cc1ccc(cc1)OCCc1nc(oc1C)c1cccs1)C
InChI InChI=1S/C26H25NO5S/c1-18-22(27-24(31-18)23-9-6-16-33-23)14-15-30-20-12-10-19(11-13-20)17-26(2,25(28)29)32-21-7-4-3-5-8-21/h3-13,16H,14-15,17H2,1-2H3,(H,28,29)/t26-/m0/s1
InChI Key KWSPYUOBNIMILB-SANMLTNESA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2S)-2-methyl-3-[4-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-(phenoxy)propanoic acid
Synonyms Click here for help
LY 510929 | LY510929
Database Links Click here for help
BindingDB Ligand 50145721
ChEMBL Ligand CHEMBL77502
GtoPdb PubChem SID 135650558
PubChem CID 9890585
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