C27 H26 F3 N5 O3 S
A1JSJ
3-((7-(3-((S)-3-aminopyrrolidine-1-carbonyl)-4-methyl-6-(trifluoromethyl)pyridin-2-yl)thieno[3,2-b]pyridin-2-yl)methyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
3-((7-(3-((S)-3-aminopyrrolidine-1-carbonyl)-4-methyl-6-(tri...Show more
Formula
Standard InChI
InChI=1S/C27H26F3N5O3S/c1-12-8-17(27(28,29)30)33-21(18(12)23(36)34-7-5-13(31)10-34)15-4-6-32-16-9-14(39-22(15)16)11-35-2...Show more
Standard InChI Key
WGRZUBNKTDIWFS-QTJFZDIUSA-N
SMILES
Cc1cc(nc(c1C(=O)N2CC[C@@H](C2)N)c3ccnc4c3sc(c4)CN5C(=O)C6C(C...Show more
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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