C17 H15 N3 O2 S
X46
[4-amino-2-(phenylamino)-1,3-thiazol-5-yl](3-methoxyphenyl)methanone
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
[4-amino-2-(phenylamino)-1,3-thiazol-5-yl](3-methoxyphenyl)m...Show more
Formula
Standard InChI
InChI=1S/C17H15N3O2S/c1-22-13-9-5-6-11(10-13)14(21)15-16(18)20-17(23-15)19-12-7-3-2-4-8-12/h2-10H,18H2,1H3,(H,19,20)
Standard InChI Key
LXKAYWZVBXYTGU-UHFFFAOYSA-N
SMILES
COc1cccc(c1)C(=O)c2c(nc(s2)Nc3ccccc3)N
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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