C26 H22 Cl N5 O2
XUB
[(3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](4'-chloro[1,1'-biphenyl]-4-yl)methanone
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
[(3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3...Show more
Formula
Standard InChI
InChI=1S/C26H22ClN5O2/c27-22-8-5-17(6-9-22)16-1-3-18(4-2-16)25(33)31-12-20-14-32(15-21(20)13-31)26(34)19-7-10-23-24(11-1...Show more
Standard InChI Key
JLMNCPWXRMABPO-UHFFFAOYSA-N
SMILES
c1cc(ccc1c2ccc(cc2)Cl)C(=O)N3C[C@@H]4CN(C[C@H]4C3)C(=O)c5ccc...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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