C21 H16 Cl N3 O2 S
A1CLB
(3E)-3-(1,3-benzothiazol-2-yl)-4-[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]but-3-enoic acid
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(3E)-3-(1,3-benzothiazol-2-yl)-4-[3-(4-chlorophenyl)-1-methy...Show more
Formula
Standard InChI
InChI=1S/C21H16ClN3O2S/c1-25-12-15(20(24-25)13-6-8-16(22)9-7-13)10-14(11-19(26)27)21-23-17-4-2-3-5-18(17)28-21/h2-10,12H...Show more
Standard InChI Key
PUZGSUYWMUYCFC-GXDHUFHOSA-N
SMILES
Cn1cc(c(n1)c2ccc(cc2)Cl)/C=C(\CC(=O)O)/c3nc4ccccc4s3
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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