C31 H32 N6 O3
A1CBF
(1P)-1-{4-(benzylamino)-2-methyl-1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-6-yl}-2-methyl-1H-indole-4-carboxamide
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(1P)-1-{4-(benzylamino)-2-methyl-1-[2-(morpholin-4-yl)-2-oxo...Show more
Formula
Standard InChI
InChI=1S/C31H32N6O3/c1-20-15-25-26(33-18-22-7-4-3-5-8-22)17-28(34-31(25)36(20)19-29(38)35-11-13-40-14-12-35)37-21(2)16-2...Show more
Standard InChI Key
XPRRXLBYANVKMG-UHFFFAOYSA-N
SMILES
Cc1cc2c(cc(nc2n1CC(=O)N3CCOCC3)n4c(cc5c4cccc5C(=O)N)C)NCc6cc...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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