C17 H18 N8 O
A1CXT
(4M)-4-{4-[(2,2-dimethyl-5-oxopyrrolidin-1-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl}-1-methyl-1H-pyrazole-5-carbonitrile
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(4M)-4-{4-[(2,2-dimethyl-5-oxopyrrolidin-1-yl)amino]-7H-pyrr...Show more
Formula
Standard InChI
InChI=1S/C17H18N8O/c1-17(2)5-4-14(26)25(17)23-16-10-6-12(22-15(10)19-9-20-16)11-8-21-24(3)13(11)7-18/h6,8-9H,4-5H2,1-3H3...Show more
Standard InChI Key
HLTQWVQKXBCSKK-UHFFFAOYSA-N
SMILES
CC1(CCC(=O)N1Nc2c3cc([nH]c3ncn2)c4cnn(c4C#N)C)C
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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