Examples: STIGLCNAGHEMCLC_000191PRD_000468

T98

Drug-like

5-(4,4-DIMETHYL-2-THIOXO-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-6-YL)-1-METHYL-1H-PYRROLE-2-CARBONITRILE

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Synonyms
NSP-989, Tanaproget, TANAPROGET
Formula
C16 H15 N3 O S
Standard InChI
InChI=1S/C16H15N3OS/c1-16(2)12-8-10(4-6-13(12)18-15(21)20-16)14-7-5-11(9-17)19(14)3/h4-8H,1-3H3,(H,18,21)
Standard InChI Key
PYVFWTPEBMRKSR-UHFFFAOYSA-N
SMILES
CC1(c2cc(ccc2NC(=S)O1)c3ccc(n3C)C#N)C
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.

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