C20 H29 Cl F N7 O2
A1AS8
(3S)-1-[4-(2-carbamimidamidoethyl)piperazine-1-carbonyl]-N-(4-chloro-3-fluorophenyl)piperidine-3-carboxamide
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(3S)-1-[4-(2-carbamimidamidoethyl)piperazine-1-carbonyl]-N-(...Show more
Formula
Standard InChI
InChI=1S/C20H29ClFN7O2/c21-16-4-3-15(12-17(16)22)26-18(30)14-2-1-6-29(13-14)20(31)28-10-8-27(9-11-28)7-5-25-19(23)24/h3-...Show more
Standard InChI Key
FUFZIHQUAXSDER-AWEZNQCLSA-N
SMILES
[H]/N=C(/N)\NCCN1CCN(CC1)C(=O)N2CCC[C@@H](C2)C(=O)Nc3ccc(c(c...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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