Examples: STIGLCNAGHEMCLC_000191PRD_000468

01T

[5-(aminomethyl)-6-(2,2-dimethylpropyl)-2-ethyl-4-(4-methylphenyl)pyridin-3-yl]acetic acid

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Synonyms
TAK-100
Formula
C22 H30 N2 O2
Standard InChI
InChI=1S/C22H30N2O2/c1-6-18-16(11-20(25)26)21(15-9-7-14(2)8-10-15)17(13-23)19(24-18)12-22(3,4)5/h7-10H,6,11-13,23H2,1-5H...Show more
Standard InChI Key
HQVOROHHYWZJLD-UHFFFAOYSA-N
SMILES
CCc1c(c(c(c(n1)CC(C)(C)C)CN)c2ccc(cc2)C)CC(=O)O
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.

Displayed: 1 / 2

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