C18 H19 Cl N4 O3 S
YMU
N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-6-(oxetane-3-sulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-6-(oxetane-3-sul...Show more
Formula
Standard InChI
InChI=1S/C18H19ClN4O3S/c19-14-2-1-11-4-15(5-12(11)3-14)21-18-20-6-13-7-23(8-17(13)22-18)27(24,25)16-9-26-10-16/h1-3,6,15...Show more
Standard InChI Key
MGCMXBWEEHFPAH-HNNXBMFYSA-N
SMILES
c1cc2c(cc1Cl)C[C@@H](C2)Nc3ncc4c(n3)CN(C4)S(=O)(=O)C5COC5
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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