C24 H22 F3 N5 O2
I85
N-{4-[(3S)-4'-oxo-1',4',5',6'-tetrahydrospiro[piperidine-3,7'-pyrrolo[3,2-c]pyridin]-2'-yl]pyridin-2-yl}-3-(trifluoromethyl)benzamide
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
N-{4-[(3S)-4'-oxo-1',4',5',6'-tetrahydrospiro[piperidine-3,7...Show more
Formula
Standard InChI
InChI=1S/C24H22F3N5O2/c25-24(26,27)16-4-1-3-15(9-16)21(33)32-19-10-14(5-8-29-19)18-11-17-20(31-18)23(13-30-22(17)34)6-2-...Show more
Standard InChI Key
FEVPBNYNYKIJAR-QHCPKHFHSA-N
SMILES
c1cc(cc(c1)C(F)(F)F)C(=O)Nc2cc(ccn2)c3cc4c([nH]3)[C@]5(CCCNC...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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