C13 H13 N3 O2
A1CPC
3-(3-hydroxypropyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
3-(3-hydroxypropyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-on...Show more
Formula
Standard InChI
InChI=1S/C13H13N3O2/c17-7-3-6-16-8-14-11-9-4-1-2-5-10(9)15-12(11)13(16)18/h1-2,4-5,8,15,17H,3,6-7H2
Standard InChI Key
FLCYFBAUXNVXNV-UHFFFAOYSA-N
SMILES
c1ccc2c(c1)c3c([nH]2)C(=O)N(C=N3)CCCO
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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