C21 H21 Cl2 N9 O4
A1IIY
4-[7-[[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]piperazine-1-carboxamide
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
4-[7-[[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1...Show more
Formula
Standard InChI
InChI=1S/C21H21Cl2N9O4/c1-28-16-15(18(33)29(2)21(28)35)32(20(25-16)31-7-5-30(6-8-31)19(24)34)10-14-26-27-17(36-14)11-3-4...Show more
Standard InChI Key
PWPMEZCTVWVTFP-UHFFFAOYSA-N
SMILES
CN1c2c(n(c(n2)N3CCN(CC3)C(=O)N)Cc4nnc(o4)c5ccc(c(c5)Cl)Cl)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.
Displayed: 1 / 2