MTEB

Ligand id: 1428

Name: MTEB

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 0
Topological polar surface area 64.92
Molecular weight 224.04
XLogP 4.21
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]benzonitrile
Database Links
BindingDB Ligand 50181745
ChEMBL Ligand CHEMBL201943
PubChem CID 11535913
Search Google for chemical match using the InChIKey GRUPMMBRLDBTDD-UHFFFAOYSA-N
Search Google for chemicals with the same backbone GRUPMMBRLDBTDD
Search UniChem for chemical match using the InChIKey GRUPMMBRLDBTDD-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone GRUPMMBRLDBTDD