C29 H24 N4 O4
A1DFK
(3M)-3-{(2M,8S)-2-[3-(benzamidomethyl)phenyl]-3-ethyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidin-5-yl}benzoic acid
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(3M)-3-{(2M,8S)-2-[3-(benzamidomethyl)phenyl]-3-ethyl-7-oxo-...Show more
Formula
Standard InChI
InChI=1S/C29H24N4O4/c1-2-23-26(21-12-6-8-18(14-21)17-30-28(35)19-9-4-3-5-10-19)32-33-25(34)16-24(31-27(23)33)20-11-7-13-...Show more
Standard InChI Key
ZRRLKONOHCGZNK-UHFFFAOYSA-N
SMILES
CCc1c(nn2c1NC(=CC2=O)c3cccc(c3)C(=O)O)c4cccc(c4)CNC(=O)c5ccc...Show more
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.
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