C20 H22 Br N3 O
XRT
3-[3-({[(4-bromophenyl)methyl]amino}methyl)-1H-indol-1-yl]-N-methylpropanamide
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
3-[3-({[(4-bromophenyl)methyl]amino}methyl)-1H-indol-1-yl]-N...Show more
Formula
Standard InChI
InChI=1S/C20H22BrN3O/c1-22-20(25)10-11-24-14-16(18-4-2-3-5-19(18)24)13-23-12-15-6-8-17(21)9-7-15/h2-9,14,23H,10-13H2,1H3...Show more
Standard InChI Key
KSZKVCZXASDIAD-UHFFFAOYSA-N
SMILES
CNC(=O)CCn1cc(c2c1cccc2)CNCc3ccc(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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