C22 H25 Cl N4 O3
XGI
5-tert-butyl-2-chloro-4-{[1-methyl-5-(6-oxa-1-azaspiro[3.3]heptane-1-carbonyl)-1H-imidazol-2-yl]methoxy}benzonitrile
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
5-tert-butyl-2-chloro-4-{[1-methyl-5-(6-oxa-1-azaspiro[3.3]h...Show more
Formula
Standard InChI
InChI=1S/C22H25ClN4O3/c1-21(2,3)15-7-14(9-24)16(23)8-18(15)30-11-19-25-10-17(26(19)4)20(28)27-6-5-22(27)12-29-13-22/h7-8...Show more
Standard InChI Key
CYYPKVUZNKPTRC-UHFFFAOYSA-N
SMILES
CC(C)(C)c1cc(c(cc1OCc2ncc(n2C)C(=O)N3CCC34COC4)Cl)C#N
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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