C16 H15 Cl N4 O2
B4E
cyclical inhibitor OD36
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
cyclical inhibitor OD36
Formula
Standard InChI
InChI=1S/C16H15ClN4O2/c17-12-7-11-8-13(9-12)23-6-5-22-4-2-18-15-1-3-21-16(20-15)14(11)10-19-21/h1,3,7-10H,2,4-6H2,(H,18,...Show more
Standard InChI Key
KTSDBMVHAKWDRK-UHFFFAOYSA-N
SMILES
c1cn2c3c(cn2)-c4cc(cc(c4)Cl)OCCOCCNc1n3
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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