C22 H22 Cl2 N4 O3 S
Y2Q
(1H-benzotriazol-5-yl)[(3aR,5r,6aS)-5-[2-(3,5-dichlorophenyl)ethanesulfonyl]hexahydrocyclopenta[c]pyrrol-2(1H)-yl]methanone
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(1H-benzotriazol-5-yl)[(3aR,5r,6aS)-5-[2-(3,5-dichlorophenyl...Show more
Formula
Standard InChI
InChI=1S/C22H22Cl2N4O3S/c23-17-5-13(6-18(24)10-17)3-4-32(30,31)19-7-15-11-28(12-16(15)8-19)22(29)14-1-2-20-21(9-14)26-27...Show more
Standard InChI Key
WHPLZWPELMTYQP-UHFFFAOYSA-N
SMILES
c1cc2c(cc1C(=O)N3C[C@H]4CC(C[C@H]4C3)S(=O)(=O)CCc5cc(cc(c5)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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