MRS4478

Ligand id: 9999

Name: MRS4478

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 110.58
Molecular weight 452.11
XLogP 4.85
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4'-carbamoyl-5-{4-[4-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-1-yl}-[1,1'-biphenyl]-3-carboxylic acid
Synonyms
compound 30 [Yu et al., 2018]
Comments
MRS4478 is a P2Y14 receptor antagonist [1].
Database Links
GtoPdb PubChem SID 374883886
Search Google for chemical match using the InChIKey ODSCFSVBFVSJFO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ODSCFSVBFVSJFO
Search UniChem for chemical match using the InChIKey ODSCFSVBFVSJFO-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ODSCFSVBFVSJFO