C27 H23 F3 N6 O3
YPI
[(3aR,3bR,6aS,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl][1-(2,2,2-trifluoroethoxy)isoquinolin-3-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/C27H23F3N6O3/c28-27(29,30)13-39-24-16-4-2-1-3-14(16)7-23(31-24)26(38)36-11-19-17-9-35(10-18(17)20(19)12-36)25(3...Show more
Standard InChI Key
SVMYVCAWPRQJHP-UHFFFAOYSA-N
SMILES
c1ccc2c(c1)cc(nc2OCC(F)(F)F)C(=O)N3C[C@H]4[C@@H]5CN(C[C@@H]5...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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