C27 H31 Cl N6 O2
A1KBG
4-[[[6-[5-chloranyl-2-[[4-[[(2~{R})-1-methoxypropan-2-yl]amino]phenyl]amino]pyridin-4-yl]pyridin-2-yl]amino]methyl]oxane-4-carbonitrile
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
4-[[[6-[5-chloranyl-2-[[4-[[(2~{R})-1-methoxypropan-2-yl]ami...Show more
Formula
Standard InChI
InChI=1S/C27H31ClN6O2/c1-19(16-35-2)32-20-6-8-21(9-7-20)33-26-14-22(23(28)15-30-26)24-4-3-5-25(34-24)31-18-27(17-29)10-1...Show more
Standard InChI Key
UVPKAZQHBPKUOM-LJQANCHMSA-N
SMILES
C[C@H](COC)Nc1ccc(cc1)Nc2cc(c(cn2)Cl)c3cccc(n3)NCC4(CCOCC4)C...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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