C25 H33 N7 O2
A1IIK
4-[(3~{R})-3-(cyclobutylmethylamino)piperidin-1-yl]-1-[(1~{R})-1-[4-(5-methoxypyridin-3-yl)-1,2,3-triazol-1-yl]ethyl]pyridin-2-one
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
4-[(3~{R})-3-(cyclobutylmethylamino)piperidin-1-yl]-1-[(1~{R...Show more
Formula
Standard InChI
InChI=1S/C25H33N7O2/c1-18(32-17-24(28-29-32)20-11-23(34-2)15-26-14-20)31-10-8-22(12-25(31)33)30-9-4-7-21(16-30)27-13-19-...Show more
Standard InChI Key
BLQHZTVKQVIIIR-WIYYLYMNSA-N
SMILES
C[C@@H](n1cc(nn1)c2cc(cnc2)OC)N3C=CC(=CC3=O)N4CCC[C@H](C4)NC...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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