C27 H31 N9 O S
J7W
N-[3-[[4-[4,6-bis(azanyl)pyrimidin-2-yl]-1,3-thiazol-2-yl]amino]-4-methyl-phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
N-[3-[[4-[4,6-bis(azanyl)pyrimidin-2-yl]-1,3-thiazol-2-yl]am...Show more
Formula
Standard InChI
InChI=1S/C27H31N9OS/c1-17-3-8-20(13-21(17)31-27-32-22(16-38-27)25-33-23(28)14-24(29)34-25)30-26(37)19-6-4-18(5-7-19)15-3...Show more
Standard InChI Key
AWHDUBFHMBQEJL-UHFFFAOYSA-N
SMILES
Cc1ccc(cc1Nc2nc(cs2)c3nc(cc(n3)N)N)NC(=O)c4ccc(cc4)CN5CCN(CC...Show more
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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