C19 H18 Cl N5 O
97S
2-chloranyl-4-[[4-(ethylamino)-1,3-dimethyl-2-oxidanylidene-quinolin-6-yl]amino]pyridine-3-carbonitrile
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
2-chloranyl-4-[[4-(ethylamino)-1,3-dimethyl-2-oxidanylidene-...Show more
Formula
Standard InChI
InChI=1S/C19H18ClN5O/c1-4-22-17-11(2)19(26)25(3)16-6-5-12(9-13(16)17)24-15-7-8-23-18(20)14(15)10-21/h5-9,22H,4H2,1-3H3,(...Show more
Standard InChI Key
AAVLXLCJTOLPIR-UHFFFAOYSA-N
SMILES
CCNC1=C(C(=O)N(c2c1cc(cc2)Nc3ccnc(c3C#N)Cl)C)C
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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