C22 H25 F N5 O5 P
GIH
(2~{S},3~{S})-3-[[5-dimethoxyphosphoryl-4-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(2~{S},3~{S})-3-[[5-dimethoxyphosphoryl-4-(5-fluoranyl-1~{H}...Show more
Formula
Standard InChI
InChI=1S/C22H25FN5O5P/c1-32-34(31,33-2)16-10-26-22(27-18-12-5-3-11(4-6-12)17(18)21(29)30)28-19(16)15-9-25-20-14(15)7-13(...Show more
Standard InChI Key
HZZFRSXJRJLLCP-CMKMFDCUSA-N
SMILES
COP(=O)(c1cnc(nc1c2c[nH]c3c2cc(cn3)F)N[C@@H]4[C@H](C5CCC4CC5...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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