C31 H39 N5 O
A1CLL
(7M)-8-methyl-1'-{[5-(4-methylpiperazin-1-yl)pyridin-2-yl]methyl}-7-(2-methylpyridin-4-yl)-3,4-dihydrospiro[[1]benzopyran-2,4'-piperidine]
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(7M)-8-methyl-1'-{[5-(4-methylpiperazin-1-yl)pyridin-2-yl]me...Show more
Formula
Standard InChI
InChI=1S/C31H39N5O/c1-23-20-26(9-13-32-23)29-7-4-25-8-10-31(37-30(25)24(29)2)11-14-35(15-12-31)22-27-5-6-28(21-33-27)36-...Show more
Standard InChI Key
ZTGXWRPQUDBLTI-UHFFFAOYSA-N
SMILES
Cc1cc(ccn1)c2ccc3c(c2C)OC4(CC3)CCN(CC4)Cc5ccc(cn5)N6CCN(CC6)...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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