C19 H21 Cl N4 O
OT6
2-{3-chloro-5-[(2-cyano-2-methylpropyl)amino]phenyl}-N-(4-methylpyridin-3-yl)acetamide
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
2-{3-chloro-5-[(2-cyano-2-methylpropyl)amino]phenyl}-N-(4-me...Show more
Formula
Standard InChI
InChI=1S/C19H21ClN4O/c1-13-4-5-22-10-17(13)24-18(25)8-14-6-15(20)9-16(7-14)23-12-19(2,3)11-21/h4-7,9-10,23H,8,12H2,1-3H3...Show more
Standard InChI Key
UELOTNVORDVOMK-UHFFFAOYSA-N
SMILES
Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)NCC(C)(C)C#N
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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