C17 H15 N3 O S
Z31
[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](naphthalen-2-yl)methanone
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](naphthale...Show more
Formula
Standard InChI
InChI=1S/C17H15N3OS/c1-2-9-19-17-20-16(18)15(22-17)14(21)13-8-7-11-5-3-4-6-12(11)10-13/h2-8,10H,1,9,18H2,(H,19,20)
Standard InChI Key
NWVQKPQYUAHOFK-UHFFFAOYSA-N
SMILES
C=CCNc1nc(c(s1)C(=O)c2ccc3ccccc3c2)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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