C25 H26 F2 N6 O3
A1EB0
~{N}-(4-azanylcyclohexyl)-4-[[2,6-bis(fluoranyl)-3-[4-(methylcarbamoyl)phenyl]phenyl]carbonylamino]-1~{H}-pyrazole-3-carboxamide
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
~{N}-(4-azanylcyclohexyl)-4-[[2,6-bis(fluoranyl)-3-[4-(methy...Show more
Formula
Standard InChI
InChI=1S/C25H26F2N6O3/c1-29-23(34)14-4-2-13(3-5-14)17-10-11-18(26)20(21(17)27)24(35)32-19-12-30-33-22(19)25(36)31-16-8-6...Show more
Standard InChI Key
JNTLASUPDXDTTD-IYBDPMFKSA-N
SMILES
CNC(=O)c1ccc(cc1)c2ccc(c(c2F)C(=O)Nc3c[nH]nc3C(=O)NC4CCC(CC4...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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