[3H]M-MPEP   Click here for help

GtoPdb Ligand ID: 1425

Synonyms: [3H]-M-MPEP
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 1
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 22.12
Molecular weight 223.1
XLogP 3.69
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1cccc(c1)C#Cc1cccc(n1)C
Isomeric SMILES COc1cccc(c1)C#Cc1cccc(n1)C
InChI InChI=1S/C15H13NO/c1-12-5-3-7-14(16-12)10-9-13-6-4-8-15(11-13)17-2/h3-8,11H,1-2H3
InChI Key STDHINPODVHROK-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[2-(3-methoxyphenyl)ethynyl]-6-methylpyridine
Synonyms Click here for help
[3H]-M-MPEP
Database Links Click here for help
ChEMBL Ligand CHEMBL332397
GtoPdb PubChem SID 135651179
PubChem CID 5311462
RCSB PDB Ligand D8B, D8B
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