C27 H35 F N6 O4
A1AIW
methyl N-{6-(4-carbamimidamidobutoxy)-1-[(4-fluorophenyl)methyl]-1H-indazole-3-carbonyl}-3-methyl-L-valinate
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
methyl N-{6-(4-carbamimidamidobutoxy)-1-[(4-fluorophenyl)met...Show more
Formula
Standard InChI
InChI=1S/C27H35FN6O4/c1-27(2,3)23(25(36)37-4)32-24(35)22-20-12-11-19(38-14-6-5-13-31-26(29)30)15-21(20)34(33-22)16-17-7-...Show more
Standard InChI Key
WMOAPWVQPPIAFY-HSZRJFAPSA-N
SMILES
[H]/N=C(/N)\NCCCCOc1ccc2c(c1)n(nc2C(=O)N[C@H](C(=O)OC)C(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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