C22 H16 Br2 Cl N O3
TX3
2,4-dibromo-6-({[(2-chlorophenyl)carbonyl]amino}methyl)phenyl 2-methylbenzoate
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
2,4-dibromo-6-({[(2-chlorophenyl)carbonyl]amino}methyl)pheny...Show more
Formula
Standard InChI
InChI=1S/C22H16Br2ClNO3/c1-13-6-2-3-7-16(13)22(28)29-20-14(10-15(23)11-18(20)24)12-26-21(27)17-8-4-5-9-19(17)25/h2-11H,1...Show more
Standard InChI Key
ZXLLGHNQLPHULK-UHFFFAOYSA-N
SMILES
Cc1ccccc1C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3Cl
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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