C15 H14 Cl N3 O3 S
A1BTM
1-[(4-chlorothiophen-2-yl)methyl]-3-[(2-oxo-1,2-dihydropyridin-3-yl)methyl]-1,3-diazinane-2,4-dione
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
1-[(4-chlorothiophen-2-yl)methyl]-3-[(2-oxo-1,2-dihydropyrid...Show more
Formula
Standard InChI
InChI=1S/C15H14ClN3O3S/c16-11-6-12(23-9-11)8-18-5-3-13(20)19(15(18)22)7-10-2-1-4-17-14(10)21/h1-2,4,6,9H,3,5,7-8H2,(H,17...Show more
Standard InChI Key
CFFQNGKRYYJCIS-UHFFFAOYSA-N
SMILES
c1c(csc1CN2CCC(=O)N(C2=O)CC3=CC=CNC3=O)Cl
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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