FK-881   Click here for help

GtoPdb Ligand ID: 10241

Synonyms: ASP-6537 | ASP6537 | FK881
Compound class: Synthetic organic
Comment: FK-881 (ASP6537) is a selective COX-1 inhibitor [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 57.88
Molecular weight 311.13
XLogP 3.49
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1ccc(cc1)n1nc(nc1c1ccc(cc1)OC)OC
Isomeric SMILES COc1ccc(cc1)n1nc(nc1c1ccc(cc1)OC)OC
InChI InChI=1S/C17H17N3O3/c1-21-14-8-4-12(5-9-14)16-18-17(23-3)19-20(16)13-6-10-15(22-2)11-7-13/h4-11H,1-3H3
InChI Key OBAICMYWONZOSZ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-methoxy-1,5-bis(4-methoxyphenyl)-1,2,4-triazole
Synonyms Click here for help
ASP-6537 | ASP6537 | FK881
Database Links Click here for help
BindingDB Ligand 50084631
CAS Registry No. 524699-72-7 (source: PubChem)
ChEMBL Ligand CHEMBL3427203
GtoPdb PubChem SID 381744923
PubChem CID 9922739
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