C23 H21 Br Cl N3 O
A1AFD
(5-bromopyridin-3-yl){4-[(S)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}methanone
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(5-bromopyridin-3-yl){4-[(S)-(4-chlorophenyl)(phenyl)methyl]...Show more
Formula
Standard InChI
InChI=1S/C23H21BrClN3O/c24-20-14-19(15-26-16-20)23(29)28-12-10-27(11-13-28)22(17-4-2-1-3-5-17)18-6-8-21(25)9-7-18/h1-9,1...Show more
Standard InChI Key
HUHIPWIDNVSBFL-QFIPXVFZSA-N
SMILES
c1ccc(cc1)[C@@H](c2ccc(cc2)Cl)N3CCN(CC3)C(=O)c4cc(cnc4)Br
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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