C17 H18 N4 O S
K7R
1-[(3~{S})-3-(2~{H}-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-thiophen-3-yl-ethanone
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
1-[(3~{S})-3-(2~{H}-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-...Show more
Formula
Standard InChI
InChI=1S/C17H18N4OS/c22-15(9-12-5-8-23-11-12)21-7-2-3-13(10-21)16-14-4-1-6-18-17(14)20-19-16/h1,4-6,8,11,13H,2-3,7,9-10H...Show more
Standard InChI Key
YFQQTIRINPYCBC-ZDUSSCGKSA-N
SMILES
c1cc2c([nH]nc2nc1)[C@H]3CCCN(C3)C(=O)Cc4ccsc4
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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