AS100

Ligand id: 381

Name: AS100

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 125.45
Molecular weight 533.13
XLogP 2.62
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-(3,4-dichlorophenyl)-2-{[5-(2,6-dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H-purin-8-yl)-1-methyl-1H-pyrazol-3-yl]oxy}acetamide
Synonyms
AS 100 | AS-100
Database Links
BindingDB Ligand 50140971
CAS Registry No. 860033-28-9 (source: Scifinder)
ChEMBL Ligand CHEMBL32802
PubChem CID 69409189
Search Google for chemical match using the InChIKey OESRCCUPNGDTIR-UHFFFAOYSA-N
Search Google for chemicals with the same backbone OESRCCUPNGDTIR
Search UniChem for chemical match using the InChIKey OESRCCUPNGDTIR-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone OESRCCUPNGDTIR
Comments
The tautomeric structure shown here is replicated from [1] and may not be identical to representations of the same compound in different databases, where additional tautomers may be shown e.g. CID 11364614.