C18 H14 Cl2 N2 O2
VTN
N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]ethyl}prop-2-enamide
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]ethyl}prop-...Show more
Formula
Standard InChI
InChI=1S/C18H14Cl2N2O2/c1-2-18(23)22-6-5-12-3-4-16(20)17(9-12)24-15-8-13(11-21)7-14(19)10-15/h2-4,7-10H,1,5-6H2,(H,22,23...Show more
Standard InChI Key
NTQXELUQORLKIR-UHFFFAOYSA-N
SMILES
C=CC(=O)NCCc1ccc(c(c1)Oc2cc(cc(c2)Cl)C#N)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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