C22 H24 Cl N5 O
A1EB7
Balovaptan
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
RG7314, Rg7314, RG-7314, RO5285119, Balovaptan, RO-5285119, ...Show more
Formula
Standard InChI
InChI=1S/C22H24ClN5O/c1-27-13-16-12-17(23)7-10-19(16)28-20(14-27)25-26-22(28)15-5-8-18(9-6-15)29-21-4-2-3-11-24-21/h2-4,...Show more
Standard InChI Key
GMPZPHGHNDMRKL-RZDIXWSQSA-N
SMILES
CN1Cc2cc(ccc2-n3c(nnc3C4CCC(CC4)Oc5ccccn5)C1)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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