topiroxostat   Click here for help

GtoPdb Ligand ID: 10592

Synonyms: Topiloric | Uriadec
PDB Ligand
Compound class: Synthetic organic
Comment: Selective xanthine oxidase inhibitor developed for treatment and management of hyperuricemia and gout.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 91.14
Molecular weight 248.08
XLogP 1.46
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES N#Cc1nccc(c1)c1n[nH]c(n1)c1ccncc1
Isomeric SMILES N#Cc1nccc(c1)c1n[nH]c(n1)c1ccncc1
InChI InChI=1S/C13H8N6/c14-8-11-7-10(3-6-16-11)13-17-12(18-19-13)9-1-4-15-5-2-9/h1-7H,(H,17,18,19)
InChI Key UBVZQGOVTLIHLH-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine-2-carbonitrile
International Nonproprietary Names Click here for help
INN number INN
9220 topiroxostat
Synonyms Click here for help
Topiloric | Uriadec
Database Links Click here for help
CAS Registry No. 577778-58-6
DrugCentral Ligand 4888
GtoPdb PubChem SID 404859039
PubChem CID 5288320
RCSB PDB Ligand FYX
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