C12 H10 Cl2 N2 O2
A1MB7
4-[2-[3,5-bis(chloranyl)-1~{H}-pyrazol-4-yl]ethyl]benzoic acid
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
4-[2-[3,5-bis(chloranyl)-1~{H}-pyrazol-4-yl]ethyl]benzoic ac...Show more
Formula
Standard InChI
InChI=1S/C12H10Cl2N2O2/c13-10-9(11(14)16-15-10)6-3-7-1-4-8(5-2-7)12(17)18/h1-2,4-5H,3,6H2,(H,15,16)(H,17,18)
Standard InChI Key
QZQBCEFBHQDBEZ-UHFFFAOYSA-N
SMILES
c1cc(ccc1CCc2c([nH]nc2Cl)Cl)C(=O)O
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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