[3H]brimonidine   Click here for help

GtoPdb Ligand ID: 5386

Synonyms: [3H]-UK14304
PDB Ligand  Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 62.2
Molecular weight 291.01
XLogP 1.18
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Brc1c(ccc2c1nccn2)NC1=NCCN1
Isomeric SMILES Brc1c(ccc2c1nccn2)NC1=NCCN1
InChI InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
InChI Key XYLJNLCSTIOKRM-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine
Synonyms Click here for help
[3H]-UK14304
Database Links Click here for help
ChEMBL Ligand CHEMBL844
DrugCentral Ligand 395
GtoPdb PubChem SID 178102044
PubChem CID 2435
RCSB PDB Ligand J59
Search Google for chemical match using the InChIKey XYLJNLCSTIOKRM-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey XYLJNLCSTIOKRM-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey XYLJNLCSTIOKRM-UHFFFAOYSA-N

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Tocris
UK 14,304
Cat. No. 0425