C25 H26 F N5 O6 S
YVH
7-[(1~{S})-1-(2-carbamimidoyl-6-oxidanylidene-5-oxa-2,7-diazaspiro[3.4]octan-7-yl)ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
7-[(1~{S})-1-(2-carbamimidoyl-6-oxidanylidene-5-oxa-2,7-diaz...Show more
Formula
Standard InChI
InChI=1S/C25H26FN5O6S/c1-13(31-12-25(37-24(31)34)10-30(11-25)23(27)28)16-4-3-5-17-19(21(22(32)33)29-20(16)17)14-6-7-15(1...Show more
Standard InChI Key
OACISRKPCCFFSQ-ZDUSSCGKSA-N
SMILES
[H]/N=C(/N)\N1CC2(C1)CN(C(=O)O2)[C@@H](C)c3cccc4c3[nH]c(c4c5...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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