C25 H21 F3 N6 O3
YG2
[(3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl][4-(2,2,2-trifluoroethoxy)quinolin-2-yl]methanone
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
We have redesigned this page to enhance your experience. Take an on-page tour.
Synonyms
[(3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3...Show more
Formula
Standard InChI
InChI=1S/C25H21F3N6O3/c26-25(27,28)13-37-22-8-21(29-18-4-2-1-3-17(18)22)24(36)34-11-15-9-33(10-16(15)12-34)23(35)14-5-6-...Show more
Standard InChI Key
PNENDHTYPWTEAK-UHFFFAOYSA-N
SMILES
c1ccc2c(c1)c(cc(n2)C(=O)N3C[C@@H]4CN(C[C@H]4C3)C(=O)c5ccc6c(...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.
Displayed: 1 / 2