C26 H26 Cl2 N6 O2
A1IXM
~{N}-[3-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]propyl]-2-oxidanylidene-6-pyridin-3-yl-3~{H}-benzimidazole-1-carboxamide
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
~{N}-[3-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]propyl]-...Show more
Formula
Standard InChI
InChI=1S/C26H26Cl2N6O2/c27-20-5-1-6-22(24(20)28)33-14-12-32(13-15-33)11-3-10-30-25(35)34-23-16-18(19-4-2-9-29-17-19)7-8-...Show more
Standard InChI Key
QSLKMFIYZMLKJC-UHFFFAOYSA-N
SMILES
c1cc(c(c(c1)Cl)Cl)N2CCN(CC2)CCCNC(=O)N3c4cc(ccc4NC3=O)c5cccn...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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