C13 H13 Cl N4 O S
A1CPL
5-chloro-2-{[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]sulfanyl}-1H-1,3-benzimidazole
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
5-chloro-2-{[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]sulfany...Show more
Formula
Standard InChI
InChI=1S/C13H13ClN4OS/c1-8-15-12(19-18-8)3-2-6-20-13-16-10-5-4-9(14)7-11(10)17-13/h4-5,7H,2-3,6H2,1H3,(H,16,17)
Standard InChI Key
RCAHBTGXAMSEQC-UHFFFAOYSA-N
SMILES
Cc1nc(on1)CCCSc2[nH]c3ccc(cc3n2)Cl
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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