C17 H15 Br N4 O3
A1CJC
(3S)-3-(4-bromophenyl)-3-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(3S)-3-(4-bromophenyl)-3-[(2-methyl-7H-pyrrolo[2,3-d]pyrimid...Show more
Formula
Standard InChI
InChI=1S/C17H15BrN4O3/c1-9-20-15(12-6-7-19-16(12)21-9)17(25)22-13(8-14(23)24)10-2-4-11(18)5-3-10/h2-7,13H,8H2,1H3,(H,22,...Show more
Standard InChI Key
UNULYKHBHJMUQB-ZDUSSCGKSA-N
SMILES
Cc1nc(c2cc[nH]c2n1)C(=O)N[C@@H](CC(=O)O)c3ccc(cc3)Br
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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