C14 H14 Cl N5 O
A1ADA
5-{[5-chloro-2-(dimethylamino)pyrimidin-4-yl]amino}-1,3-dihydro-2H-indol-2-one
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
5-{[5-chloro-2-(dimethylamino)pyrimidin-4-yl]amino}-1,3-dihy...Show more
Formula
Standard InChI
InChI=1S/C14H14ClN5O/c1-20(2)14-16-7-10(15)13(19-14)17-9-3-4-11-8(5-9)6-12(21)18-11/h3-5,7H,6H2,1-2H3,(H,18,21)(H,16,17,...Show more
Standard InChI Key
MDNVCBTZAJHKQF-UHFFFAOYSA-N
SMILES
CN(C)c1ncc(c(n1)Nc2ccc3c(c2)CC(=O)N3)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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