C27 H30 N4 O4
A1ICS
3-[[1-[(2~{S},3~{S})-1-methyl-6-oxidanylidene-2-phenyl-piperidin-3-yl]carbonyl-4-oxidanyl-piperidin-4-yl]methyl]quinazolin-4-one
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
We have redesigned this page to enhance your experience. Take an on-page tour.
Synonyms
3-[[1-[(2~{S},3~{S})-1-methyl-6-oxidanylidene-2-phenyl-piper...Show more
Formula
Standard InChI
InChI=1S/C27H30N4O4/c1-29-23(32)12-11-21(24(29)19-7-3-2-4-8-19)26(34)30-15-13-27(35,14-16-30)17-31-18-28-22-10-6-5-9-20(...Show more
Standard InChI Key
LFWWCQUMVDUXSY-XUZZJYLKSA-N
SMILES
CN1[C@@H]([C@H](CCC1=O)C(=O)N2CCC(CC2)(CN3C=Nc4ccccc4C3=O)O)...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.
Displayed: 1 / 2