[3H]methoxymethyl-MTEP   Click here for help

GtoPdb Ligand ID: 5394

Synonyms: [3H]-methoxymethyl-MTEP
 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 0
Rotatable bonds 2
Topological polar surface area 63.25
Molecular weight 244.07
XLogP 1.83
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COCc1cncc(c1)C#Cc1csc(n1)C
Isomeric SMILES COCc1cncc(c1)C#Cc1csc(n1)C
InChI InChI=1S/C13H12N2OS/c1-10-15-13(9-17-10)4-3-11-5-12(8-16-2)7-14-6-11/h5-7,9H,8H2,1-2H3
InChI Key AWDRAHDWMICWJM-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-(methoxymethyl)-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine
Synonyms Click here for help
[3H]-methoxymethyl-MTEP
Database Links Click here for help
ChEMBL Ligand CHEMBL420533
GtoPdb PubChem SID 178102051
PubChem CID 10354477
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