C30 H27 N5 O5
A1DFI
(3M)-3-[(2M,8S)-3-ethyl-2-(3-{[(3-methoxyphenyl)carbamamido]methyl}phenyl)-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)-3-ethyl-2-(3-{[(3-methoxyphenyl)carbamamido]...Show more
Formula
Standard InChI
InChI=1S/C30H27N5O5/c1-3-24-27(34-35-26(36)16-25(33-28(24)35)19-8-5-10-21(14-19)29(37)38)20-9-4-7-18(13-20)17-31-30(39)3...Show more
Standard InChI Key
HFZZJWSATOFNRA-UHFFFAOYSA-N
SMILES
CCc1c(nn2c1NC(=CC2=O)c3cccc(c3)C(=O)O)c4cccc(c4)CNC(=O)Nc5cc...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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