C30 H31 F N6 O3
A1CSL
1-{4-[(5-fluoro-2-methoxybenzamido)methyl]phenyl}-4-[4-(piperidin-4-yl)anilino]-1H-pyrazole-5-carboxamide
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
We have redesigned this page to enhance your experience. Take an on-page tour.
Synonyms
1-{4-[(5-fluoro-2-methoxybenzamido)methyl]phenyl}-4-[4-(pipe...Show more
Formula
Standard InChI
InChI=1S/C30H31FN6O3/c1-40-27-11-6-22(31)16-25(27)30(39)34-17-19-2-9-24(10-3-19)37-28(29(32)38)26(18-35-37)36-23-7-4-20(...Show more
Standard InChI Key
GSODIQALPGHYNA-UHFFFAOYSA-N
SMILES
COc1ccc(cc1C(=O)NCc2ccc(cc2)n3c(c(cn3)Nc4ccc(cc4)C5CCNCC5)C(...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.
Displayed: 1 / 2