C19 H13 Br F3 N5 O S
A1CIO
N-{[4-(4-bromophenyl)-1H-imidazol-2-yl]methyl}-N'-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]urea
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
N-{[4-(4-bromophenyl)-1H-imidazol-2-yl]methyl}-N'-[6-(triflu...Show more
Formula
Standard InChI
InChI=1S/C19H13BrF3N5OS/c20-12-4-1-10(2-5-12)14-8-24-16(26-14)9-25-17(29)28-18-27-13-6-3-11(19(21,22)23)7-15(13)30-18/h1...Show more
Standard InChI Key
OEAUDGBEKDKCMR-UHFFFAOYSA-N
SMILES
c1cc(ccc1c2c[nH]c(n2)CNC(=O)Nc3nc4ccc(cc4s3)C(F)(F)F)Br
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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