AH6809   

GtoPdb Ligand ID: 1896

Synonyms: AH 6809 | AH-6809
Compound class: Synthetic organic
Comment: AH6809 is an EP1 and EP2 prostanoid receptor antagonist.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 76.74
Molecular weight 298.08
XLogP 4.63
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CC(Oc1ccc2c(c1)oc1c(c2=O)cc(cc1)C(=O)O)C
Isomeric SMILES CC(Oc1ccc2c(c1)oc1c(c2=O)cc(cc1)C(=O)O)C
InChI InChI=1S/C17H14O5/c1-9(2)21-11-4-5-12-15(8-11)22-14-6-3-10(17(19)20)7-13(14)16(12)18/h3-9H,1-2H3,(H,19,20)
InChI Key AQFFXPQJLZFABJ-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
9-oxo-6-propan-2-yloxyxanthene-2-carboxylic acid
Synonyms
AH 6809 | AH-6809
Database Links
ChEMBL Ligand CHEMBL1317823
GtoPdb PubChem SID 135649910
PubChem CID 119461
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Tocris
AH 6809
Cat. No. 0671