C15 H14 Br N5 O
A1BKB
1-{[(7-bromo-9H-pyrimido[4,5-b]indol-4-yl)amino]methyl}cyclopropane-1-carboxamide
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
1-{[(7-bromo-9H-pyrimido[4,5-b]indol-4-yl)amino]methyl}cyclo...Show more
Formula
Standard InChI
InChI=1S/C15H14BrN5O/c16-8-1-2-9-10(5-8)21-13-11(9)12(19-7-20-13)18-6-15(3-4-15)14(17)22/h1-2,5,7H,3-4,6H2,(H2,17,22)(H2...Show more
Standard InChI Key
YLNJPEGUTGFJHW-UHFFFAOYSA-N
SMILES
c1cc2c(cc1Br)[nH]c3c2c(ncn3)NCC4(CC4)C(=O)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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