C24 H30 N4 O3
XRI
5-tert-butyl-2-methyl-4-({5-[(5S)-2-oxa-7-azaspiro[4.4]nonane-7-carbonyl]-1H-pyrazol-3-yl}methoxy)benzonitrile
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
5-tert-butyl-2-methyl-4-({5-[(5S)-2-oxa-7-azaspiro[4.4]nonan...Show more
Formula
Standard InChI
InChI=1S/C24H30N4O3/c1-16-9-21(19(23(2,3)4)10-17(16)12-25)31-13-18-11-20(27-26-18)22(29)28-7-5-24(14-28)6-8-30-15-24/h9-...Show more
Standard InChI Key
RYNYQPKWTQAPAX-DEOSSOPVSA-N
SMILES
Cc1cc(c(cc1C#N)C(C)(C)C)OCc2cc([nH]n2)C(=O)N3CC[C@@]4(C3)CCO...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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