MTEP   Click here for help

GtoPdb Ligand ID: 3336

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 0
Topological polar surface area 54.02
Molecular weight 200.04
XLogP 2.13
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Cc1scc(n1)C#Cc1cccnc1
Isomeric SMILES Cc1scc(n1)C#Cc1cccnc1
InChI InChI=1S/C11H8N2S/c1-9-13-11(8-14-9)5-4-10-3-2-6-12-7-10/h2-3,6-8H,1H3
InChI Key NRBNGHCYDWUVLC-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine
Database Links Click here for help
CAS Registry No. 329205-68-7 (source: Scifinder)
ChEMBL Ligand CHEMBL292065
GtoPdb PubChem SID 178100367
PubChem CID 9794218
Search Google for chemical match using the InChIKey NRBNGHCYDWUVLC-UHFFFAOYSA-N
Search Google for chemicals with the same backbone NRBNGHCYDWUVLC
Search UniChem for chemical match using the InChIKey NRBNGHCYDWUVLC-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone NRBNGHCYDWUVLC
Wikipedia MTEP