C12 H14 N4 O3 S
C0F
(4~{R})-2-[4-[(2~{S})-2,3-bis(azanyl)-3-oxidanylidene-propyl]pyridin-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(4~{R})-2-[4-[(2~{S})-2,3-bis(azanyl)-3-oxidanylidene-propyl...Show more
Formula
Standard InChI
InChI=1S/C12H14N4O3S/c13-7(10(14)17)3-6-1-2-15-8(4-6)11-16-9(5-20-11)12(18)19/h1-2,4,7,9H,3,5,13H2,(H2,14,17)(H,18,19)/t...Show more
Standard InChI Key
TXUPVLPPBPUFTK-CBAPKCEASA-N
SMILES
c1cnc(cc1C[C@@H](C(=O)N)N)C2=N[C@@H](CS2)C(=O)O
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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