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
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.
Database Links
BindingDB Ligand 50140971
CAS Registry No. 860033-28-9 (source: Scifinder)
ChEMBL Ligand CHEMBL32802
GtoPdb PubChem SID 135649958
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