RX821002   

GtoPdb Ligand ID: 526

Synonyms: 2-methoxyidazoxan | RX-821002
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
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
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
Compound class Synthetic organic
IUPAC Name
2-(2-methoxy-3H-1,4-benzodioxin-2-yl)-4,5-dihydro-1H-imidazole
Synonyms
2-methoxyidazoxan | RX-821002
Database Links
CAS Registry No. 102575-24-6 (source: Scifinder)
ChEMBL Ligand CHEMBL10332
GtoPdb PubChem SID 135650954
PubChem CID 108094
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