C20 H15 N3 O4
A1DFJ
(3M)-3-[(8R)-3-cyclopropyl-2-(furan-2-yl)-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
We have redesigned this page to enhance your experience. Take an on-page tour.
Synonyms
(3M)-3-[(8R)-3-cyclopropyl-2-(furan-2-yl)-7-oxo-4,7-dihydrop...Show more
Formula
Standard InChI
InChI=1S/C20H15N3O4/c24-16-10-14(12-3-1-4-13(9-12)20(25)26)21-19-17(11-6-7-11)18(22-23(16)19)15-5-2-8-27-15/h1-5,8-11,21...Show more
Standard InChI Key
KOEOFZTZNAIEEA-UHFFFAOYSA-N
SMILES
c1cc(cc(c1)C(=O)O)C2=CC(=O)n3c(c(c(n3)c4ccco4)C5CC5)N2
Source OpenEye
First observed in
Overall view, and highlighted
scaffolds and fragments ![help icon]()
This image gallery displays several views of the ligand structure:
- Basic Structural Representation: Shows the overall structure of the ligand.
- Detailed Structural Representation: Highlights individual atoms within the ligand.
- Murcko Scaffold: Presents the scaffold of the ligand highlighted in yellow.
- Highlighted Fragments: Displays various ligand fragments, highlighted in yellow.
This image gallery displays several views of the ligand structure:
- Basic Structural Representation: Shows the overall structure of the ligand.
- Detailed Structural Representation: Highlights individual atoms within the ligand.
- Murcko Scaffold: Presents the scaffold of the ligand highlighted in yellow.
- Highlighted Fragments: Displays various ligand fragments, highlighted in yellow.
Displayed: 1 / 2