C34 H39 F N8 O5
A1CSJ
1-{4-[(5-fluoro-2-methoxybenzamido)methyl]phenyl}-4-({6-[(1S)-1-hydroxyethyl]-5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-1H-pyrazole-5-carboxamide
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
1-{4-[(5-fluoro-2-methoxybenzamido)methyl]phenyl}-4-({6-[(1S...Show more
Formula
Standard InChI
InChI=1S/C34H39FN8O5/c1-20-17-41(25-18-48-19-25)12-13-42(20)28-9-11-30(40-31(28)21(2)44)39-27-16-38-43(32(27)33(36)45)24...Show more
Standard InChI Key
CLILBXPIVDSDDS-SFTDATJTSA-N
SMILES
C[C@H]1CN(CCN1c2ccc(nc2[C@H](C)O)Nc3cnn(c3C(=O)N)c4ccc(cc4)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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