C21 H20 N2 O5
VGK
4-[2-AMINO-5-(3,4,5-TRIMETHOXYPHENYL)PYRIDIN-3-YL]BENZOIC ACID
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
4-[2-AMINO-5-(3,4,5-TRIMETHOXYPHENYL)PYRIDIN-3-YL]BENZOIC AC...Show more
Formula
Standard InChI
InChI=1S/C21H20N2O5/c1-26-17-9-14(10-18(27-2)19(17)28-3)15-8-16(20(22)23-11-15)12-4-6-13(7-5-12)21(24)25/h4-11H,1-3H3,(H...Show more
Standard InChI Key
MWVUNZGIJWXHFJ-UHFFFAOYSA-N
SMILES
COc1cc(cc(c1OC)OC)c2cc(c(nc2)N)c3ccc(cc3)C(=O)O
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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