Examples: STIGLCNAGHEMCLC_000191PRD_000468

BC4

(3aS,4S,6aR)-4-(hex-5-yn-1-yl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one

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Synonyms
biotin acetylene
Formula
C11 H16 N2 O S
Standard InChI
InChI=1S/C11H16N2OS/c1-2-3-4-5-6-9-10-8(7-15-9)12-11(14)13-10/h1,8-10H,3-7H2,(H2,12,13,14)/t8-,9-,10-/m0/s1
Standard InChI Key
MGFIEEWTLUFGHD-GUBZILKMSA-N
SMILES
C#CCCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2
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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