C26 H22 Br N5 O2
YA8
[(3aR,3bR,6aS,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl](6-bromonaphthalen-2-yl)methanone
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
[(3aR,3bR,6aS,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydroc...Show more
Formula
Standard InChI
InChI=1S/C26H22BrN5O2/c27-18-5-3-14-7-16(2-1-15(14)8-18)25(33)31-10-19-20(11-31)22-13-32(12-21(19)22)26(34)17-4-6-23-24(...Show more
Standard InChI Key
VLNJAZOILNVBBF-ZDNVTZCJSA-N
SMILES
c1cc(cc2c1cc(cc2)Br)C(=O)N3C[C@@H]4[C@H](C3)[C@@H]5[C@H]4CN(...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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