LY320135   

GtoPdb Ligand ID: 742

Synonyms: LY 320135 | LY-320135
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 72.46
Molecular weight 383.12
XLogP 5.04
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES COc1ccc2c(c1)oc(c2C(=O)c1ccc(cc1)C#N)c1ccc(cc1)OC
Isomeric SMILES COc1ccc2c(c1)oc(c2C(=O)c1ccc(cc1)C#N)c1ccc(cc1)OC
InChI InChI=1S/C24H17NO4/c1-27-18-9-7-17(8-10-18)24-22(20-12-11-19(28-2)13-21(20)29-24)23(26)16-5-3-15(14-25)4-6-16/h3-13H,1-2H3
InChI Key RYNSGDFWBJWWSZ-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
4-[6-methoxy-2-(4-methoxyphenyl)1-benzofuran-3-carbonyl]benzonitrile
Synonyms
LY 320135 | LY-320135
Database Links
ChEMBL Ligand CHEMBL411481
GtoPdb PubChem SID 135650548
PubChem CID 5311257
Search Google for chemical match using the InChIKey RYNSGDFWBJWWSZ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RYNSGDFWBJWWSZ
Search UniChem for chemical match using the InChIKey RYNSGDFWBJWWSZ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone RYNSGDFWBJWWSZ
Wikipedia LY-320,135

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Tocris
LY 320135
Cat. No. 2387