C23 H26 Cl N9 O2
A1DAS
methyl [4-chloro-3-{[(4S)-3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino}-5-(4-methylpiperazin-1-yl)phenyl]carbamate
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
methyl [4-chloro-3-{[(4S)-3-cyano-8-(cyclopropylamino)imidaz...Show more
Formula
Standard InChI
InChI=1S/C23H26ClN9O2/c1-31-5-7-32(8-6-31)19-10-15(28-23(34)35-2)9-17(21(19)24)29-20-11-18(27-14-3-4-14)22-26-13-16(12-2...Show more
Standard InChI Key
PLBDXXVJEKLGMJ-UHFFFAOYSA-N
SMILES
CN1CCN(CC1)c2cc(cc(c2Cl)Nc3cc(c4ncc(n4n3)C#N)NC5CC5)NC(=O)OC
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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