C28 H32 Cl N3 O4
A1IL7
(7~{R},11~{R},19~{E})-11-[(4-chlorophenyl)methyl]-13-oxa-3,10,23-triazatricyclo[19.3.1.0^{3,7}]pentacosa-1(24),19,21(25),22-tetraene-2,9,12-trione
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(7~{R},11~{R},19~{E})-11-[(4-chlorophenyl)methyl]-13-oxa-3,1...Show more
Formula
Standard InChI
InChI=1S/C28H32ClN3O4/c29-23-11-9-20(10-12-23)16-25-28(35)36-14-5-3-1-2-4-7-21-15-22(19-30-18-21)27(34)32-13-6-8-24(32)1...Show more
Standard InChI Key
QQCDLDDDFKLBFB-IWVCFUSFSA-N
SMILES
c1cc(ccc1C[C@@H]2C(=O)OCCCCC/C=C/c3cc(cnc3)C(=O)N4CCC[C@@H]4...Show more
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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