[3H]RX821002   Click here for help

GtoPdb Ligand ID: 528

Synonyms: [3H]2-methoxyidazoxan
 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 3
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 52.08
Molecular weight 234.1
XLogP 0.54
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COC1(COc2c(O1)cccc2)C1=NCCN1
Isomeric SMILES COC1(COc2c(O1)cccc2)C1=NCCN1
InChI InChI=1S/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14)
InChI Key HQGWKNGAKBPTBX-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-(2-methoxy-3H-1,4-benzodioxin-2-yl)-4,5-dihydro-1H-imidazole
Synonyms Click here for help
[3H]2-methoxyidazoxan
Database Links Click here for help
ChEMBL Ligand CHEMBL10332
GtoPdb PubChem SID 135651200
PubChem CID 108094
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