C22 H22 N4 O5 S
FWS
(2S)-N-(2H-1,3-benzodioxol-5-yl)-4-[(isoquinolin-5-yl)sulfonyl]-2-methylpiperazine-1-carboxamide
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
(2S)-N-(2H-1,3-benzodioxol-5-yl)-4-[(isoquinolin-5-yl)sulfon...Show more
Formula
Standard InChI
InChI=1S/C22H22N4O5S/c1-15-13-25(32(28,29)21-4-2-3-16-12-23-8-7-18(16)21)9-10-26(15)22(27)24-17-5-6-19-20(11-17)31-14-30...Show more
Standard InChI Key
JSXIXDYOQGCEHK-HNNXBMFYSA-N
SMILES
C[C@H]1CN(CCN1C(=O)Nc2ccc3c(c2)OCO3)S(=O)(=O)c4cccc5c4ccnc5
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