MRS4458

Ligand id: 9998

Name: MRS4458

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 150.85
Molecular weight 515.12
XLogP 3.63
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-5-{4-[4-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-1-yl}benzoic acid
Synonyms
compound 20 [Yu et al., 2018]
Comments
MRS4458 is a P2Y14 receptor antagonist [1].
Database Links
GtoPdb PubChem SID 374883885
Search Google for chemical match using the InChIKey VYXSDIPOJBFWHQ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VYXSDIPOJBFWHQ
Search UniChem for chemical match using the InChIKey VYXSDIPOJBFWHQ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone VYXSDIPOJBFWHQ