C30 H28 N6 O2
J2H
8-[(3-methylpyridin-2-yl)methyl]-3-(4-phenylphenyl)-1-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
8-[(3-methylpyridin-2-yl)methyl]-3-(4-phenylphenyl)-1-pyrimi...Show more
Formula
Standard InChI
InChI=1S/C30H28N6O2/c1-22-7-5-16-31-26(22)21-34-19-14-30(15-20-34)27(37)35(29(38)36(30)28-32-17-6-18-33-28)25-12-10-24(1...Show more
Standard InChI Key
FIMHRJKSKVXMEB-UHFFFAOYSA-N
SMILES
Cc1cccnc1CN2CCC3(CC2)C(=O)N(C(=O)N3c4ncccn4)c5ccc(cc5)c6cccc...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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