C23 H18 N6 O2
A1BTP
(3M,5P)-5-(1H-1,2,3-benzotriazol-1-yl)-3-(isoquinolin-4-yl)-6-methyl-1-(prop-2-en-1-yl)pyrimidine-2,4(1H,3H)-dione
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(3M,5P)-5-(1H-1,2,3-benzotriazol-1-yl)-3-(isoquinolin-4-yl)-...Show more
Formula
Standard InChI
InChI=1S/C23H18N6O2/c1-3-12-27-15(2)21(29-19-11-7-6-10-18(19)25-26-29)22(30)28(23(27)31)20-14-24-13-16-8-4-5-9-17(16)20/...Show more
Standard InChI Key
XABRTHMDLNMZPM-UHFFFAOYSA-N
SMILES
CC1=C(C(=O)N(C(=O)N1CC=C)c2cncc3c2cccc3)n4c5ccccc5nn4
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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