C26 H27 F N4 O5 S
QGU
[6-fluoranyl-1-[4-(morpholin-4-ylmethyl)phenyl]-5,5-bis(oxidanylidene)-4H-thiochromeno[4,3-c]pyrazol-3-yl]-morpholin-4-yl-methanone
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
IOA244, Ioa 244, IOA-244, MSC2360844, Roginolisib, MSC-23608...Show more
Formula
Standard InChI
InChI=1S/C26H27FN4O5S/c27-22-3-1-2-20-24-21(17-37(33,34)25(20)22)23(26(32)30-10-14-36-15-11-30)28-31(24)19-6-4-18(5-7-19...Show more
Standard InChI Key
NFHSJYKXENYICE-UHFFFAOYSA-N
SMILES
c1cc-2c(c(c1)F)S(=O)(=O)Cc3c2n(nc3C(=O)N4CCOCC4)c5ccc(cc5)CN...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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