C21 H19 N O3 S
A1MDP
2-benzamido-4-phenyl-5-propan-2-yl-thiophene-3-carboxylic acid
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
2-benzamido-4-phenyl-5-propan-2-yl-thiophene-3-carboxylic ac...Show more
Formula
Standard InChI
InChI=1S/C21H19NO3S/c1-13(2)18-16(14-9-5-3-6-10-14)17(21(24)25)20(26-18)22-19(23)15-11-7-4-8-12-15/h3-13H,1-2H3,(H,22,23...Show more
Standard InChI Key
AOTXXOYZMAJTMQ-UHFFFAOYSA-N
SMILES
CC(C)c1c(c(c(s1)NC(=O)c2ccccc2)C(=O)O)c3ccccc3
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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