C16 H14 Cl N3
RCT
4-(3-chloro-2-phenethylphenyl)-1H-1,2,3-triazole
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
MMG-0472, 5-[3-chloranyl-2-(2-phenylethyl)phenyl]-1H-1,2,3-t...Show more
Formula
Standard InChI
InChI=1S/C16H14ClN3/c17-15-8-4-7-14(16-11-18-20-19-16)13(15)10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,18,19,20)
Standard InChI Key
KSCUUNCHIFGAIO-UHFFFAOYSA-N
SMILES
c1ccc(cc1)CCc2c(cccc2Cl)c3cnn[nH]3
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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