C31 H35 Cl F2 N2 O2
A1AI0
2-chloro-3-{[{[1-(2-fluorophenyl)cyclopentyl]methyl}(4-{[1-(3-fluoropropyl)azetidin-3-yl]oxy}phenyl)amino]methyl}phenol
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
2-chloro-3-{[{[1-(2-fluorophenyl)cyclopentyl]methyl}(4-{[1-(...Show more
Formula
Standard InChI
InChI=1S/C31H35ClF2N2O2/c32-30-23(7-5-10-29(30)37)19-36(22-31(15-3-4-16-31)27-8-1-2-9-28(27)34)24-11-13-25(14-12-24)38-2...Show more
Standard InChI Key
IQQNTEIXXROPQR-UHFFFAOYSA-N
SMILES
c1ccc(c(c1)C2(CCCC2)CN(Cc3cccc(c3Cl)O)c4ccc(cc4)OC5CN(C5)CCC...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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