C39 H49 Cl2 F N6 O5
A1CSQ
1-(5-{9-[(4-{2-[(2S,3R)-2-(3,5-dichloro-4-fluorophenyl)-5-oxomorpholin-3-yl]ethyl}piperazin-1-yl)methyl]-3-azaspiro[5.5]undecane-3-carbonyl}-2-methylphenyl)-1,3-diazinane-2,4-dione
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
1-(5-{9-[(4-{2-[(2S,3R)-2-(3,5-dichloro-4-fluorophenyl)-5-ox...Show more
Formula
Standard InChI
InChI=1S/C39H49Cl2FN6O5/c1-25-2-3-27(22-32(25)48-13-7-33(49)44-38(48)52)37(51)47-14-10-39(11-15-47)8-4-26(5-9-39)23-46-1...Show more
Standard InChI Key
LDKYLKMCPUFNTL-PJTQZDKOSA-N
SMILES
Cc1ccc(cc1N2CCC(=O)NC2=O)C(=O)N3CCC4(CCC(CC4)CN5CCN(CC5)CC[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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