C12 H8 Cl2 N4
A1IL2
~{N}-(3,4-dichlorophenyl)-1~{H}-pyrazolo[3,4-b]pyridin-4-amine
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
~{N}-(3,4-dichlorophenyl)-1~{H}-pyrazolo[3,4-b]pyridin-4-ami...Show more
Formula
Standard InChI
InChI=1S/C12H8Cl2N4/c13-9-2-1-7(5-10(9)14)17-11-3-4-15-12-8(11)6-16-18-12/h1-6H,(H2,15,16,17,18)
Standard InChI Key
QQYMLRIVSWKFOS-UHFFFAOYSA-N
SMILES
c1cc(c(cc1Nc2ccnc3c2cn[nH]3)Cl)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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