C25 H29 F6 N3 O5 S
ZBD
4-{3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzyl]-2,2-dioxido-2,1,3-benzothiadiazol-1(3H)-yl}-N-[(2R)-4-hydroxybutan-2-yl]-N-methylbutanamide
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
4-{3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzyl]...Show more
Formula
Standard InChI
InChI=1S/C25H29F6N3O5S/c1-17(13-15-35)32(2)22(36)8-5-14-33-20-6-3-4-7-21(20)34(40(33,38)39)16-18-9-11-19(12-10-18)23(37,...Show more
Standard InChI Key
SULHDXFOLGGHOR-QGZVFWFLSA-N
SMILES
C[C@H](CCO)N(C)C(=O)CCCN1c2ccccc2N(S1(=O)=O)Cc3ccc(cc3)C(C(F...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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