Ligand Id: 383
Ligand name AS99

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 118.94
Molecular weight 492.24
XLogP 2.59
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands
Classification
Compound class Synthetic organic
IUPAC Name
N-(3,4-dimethylphenyl)-2-[[(5Z)-5-(2,6-dioxo-1,3-dipropylpurin-8-ylidene)-1-methyl-2H-pyrazol-3-yl]oxy]acetamide
Synonyms
N-[3,4](dimethyl-phenyl)2-[5-(2,6-dioxo-1,3dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-methyl-1H-pyrazol-3-yloxy]-acetamide
Database Links
BindingDB Ligand 50140942
PubChem CID 10217693
Search on ChemSpider KPWWGBBUBDOCRG-PYCFMQQDSA-N

Please note: some links may refer to related isomers. For more details please contact: curators@iuphar-db.org