C16 H15 F N4 O S
LG1
(1R,3S,5R)-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-3lambda~4~-thia-6-azabicyclo[3.2.1]octan-3-one
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(1R,3S,5R)-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-3lambda...Show more
Formula
Standard InChI
InChI=1S/C16H15FN4OS/c17-10-1-2-12-13(4-10)20-15-14(12)16(19-8-18-15)21-5-9-3-11(21)7-23(22)6-9/h1-2,4,8-9,11H,3,5-7H2,(...Show more
Standard InChI Key
LPMJBGBGOZGDFR-SKYOCIEYSA-N
SMILES
c1cc2c(cc1F)[nH]c3c2c(ncn3)N4C[C@H]5C[C@@H]4CS(=O)C5
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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