C13 H11 Cl N4 O S
A1ACB
5-{[5-chloro-2-(methylsulfanyl)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-(methylsulfanyl)pyrimidin-4-yl]amino}-1,3-dih...Show more
Formula
Standard InChI
InChI=1S/C13H11ClN4OS/c1-20-13-15-6-9(14)12(18-13)16-8-2-3-10-7(4-8)5-11(19)17-10/h2-4,6H,5H2,1H3,(H,17,19)(H,15,16,18)
Standard InChI Key
WEMZFBNUWFOLKU-UHFFFAOYSA-N
SMILES
CSc1ncc(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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