C25 H22 F3 N5 O3
Y9C
(2E)-1-[(3aR,3bS,6aR,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(2E)-1-[(3aR,3bS,6aR,6bS)-5-(1H-benzotriazole-5-carbonyl)oct...Show more
Formula
Standard InChI
InChI=1S/C25H22F3N5O3/c26-25(27,28)36-16-5-1-14(2-6-16)3-8-23(34)32-10-17-18(11-32)20-13-33(12-19(17)20)24(35)15-4-7-21-...Show more
Standard InChI Key
RNTVVANWEGFYEA-FQNXGMEXSA-N
SMILES
c1cc(ccc1/C=C/C(=O)N2C[C@@H]3[C@H](C2)[C@@H]4[C@H]3CN(C4)C(=...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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