C36 H46 N8 O2
A1EB3
N-[5-[[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]-[(phenylmethyl)carbamoyl]amino]-2-[4-(dimethylamino)piperidin-1-yl]phenyl]propanamide
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
YJZ5118
Formula
Standard InChI
InChI=1S/C36H46N8O2/c1-4-35(45)41-32-22-31(15-16-33(32)43-20-18-29(19-21-43)42(2)3)44(36(46)39-24-26-8-6-5-7-9-26)30-13-...Show more
Standard InChI Key
BEJXVXHICMPJRP-UNWRIRMBSA-N
SMILES
CCC(=O)Nc1cc(ccc1N2CCC(CC2)N(C)C)N(C3CCC(CC3)Nc4ccc(cn4)C#N)...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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