C16 H15 Cl2 N O3
X2T
(2R)-3-[2,4-bis(chloranyl)-3-methyl-phenyl]carbonyl-1-cyclopropyl-2-methyl-4-oxidanyl-2H-pyrrol-5-one
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(2R)-3-[2,4-bis(chloranyl)-3-methyl-phenyl]carbonyl-1-cyclop...Show more
Formula
Standard InChI
InChI=1S/C16H15Cl2NO3/c1-7-11(17)6-5-10(13(7)18)14(20)12-8(2)19(9-3-4-9)16(22)15(12)21/h5-6,8-9,21H,3-4H2,1-2H3/t8-/m1/s...Show more
Standard InChI Key
AYQFVTHMLWNKHQ-MRVPVSSYSA-N
SMILES
Cc1c(ccc(c1Cl)C(=O)C2=C(C(=O)N([C@@H]2C)C3CC3)O)Cl
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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