MRK016

Ligand id: 4257

Name: MRK016

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 109.05
Molecular weight 368.17
XLogP 2.72
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-({[3-tert-butyl-7-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-d][1,2,4]triazin-2-yl]oxy}methyl)-1-methyl-1H-1,2,4-triazole
Synonyms
MRK 016 | MRK-016
Database Links
CAS Registry No. 342652-67-9 (source: Scifinder)
ChEBI CHEBI:416901
ChEMBL Ligand CHEMBL363211
PubChem CID 6918583
Search Google for chemical match using the InChIKey QYSYOGCIDRANAR-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QYSYOGCIDRANAR
Search UniChem for chemical match using the InChIKey QYSYOGCIDRANAR-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone QYSYOGCIDRANAR