imiloxan   Click here for help

GtoPdb Ligand ID: 3470

Synonyms: GNF-Pf-2156 | RS-21361
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 36.28
Molecular weight 244.12
XLogP 1.96
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCn1ccnc1CC1COc2c(O1)cccc2
Isomeric SMILES CCn1ccnc1CC1COc2c(O1)cccc2
InChI InChI=1S/C14H16N2O2/c1-2-16-8-7-15-14(16)9-11-10-17-12-5-3-4-6-13(12)18-11/h3-8,11H,2,9-10H2,1H3
InChI Key UXABARREKCJULM-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-1-ethylimidazole
International Nonproprietary Names Click here for help
INN number INN
5579 imiloxan
Synonyms Click here for help
GNF-Pf-2156 | RS-21361
Database Links Click here for help
CAS Registry No. 81167-16-0 (source: Scifinder)
ChEMBL Ligand CHEMBL347695
GtoPdb PubChem SID 178100464
PubChem CID 133621
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Wikipedia Imiloxan