C22 H19 F3 N4 O3 S2
XQR
S-(4-sulfamoylphenyl) 4-{[4-(trifluoromethyl)phenyl]methyl}-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carbothioate
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
S-(4-sulfamoylphenyl) 4-{[4-(trifluoromethyl)phenyl]methyl}-...Show more
Formula
Standard InChI
InChI=1S/C22H19F3N4O3S2/c23-22(24,25)15-3-1-14(2-4-15)11-20-18-12-29(10-9-19(18)27-13-28-20)21(30)33-16-5-7-17(8-6-16)34...Show more
Standard InChI Key
LGZAAWJQNNMFFC-UHFFFAOYSA-N
SMILES
c1cc(ccc1Cc2c3c(ncn2)CCN(C3)C(=O)Sc4ccc(cc4)S(=O)(=O)N)C(F)(...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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