AS94

Ligand id: 440

Name: AS94

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 13
Hydrogen bond donors 2
Rotatable bonds 12
Topological polar surface area 145.24
Molecular weight 536.23
XLogP 1.71
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
ethyl 4-[[2-[[(5Z)-5-(2,6-dioxo-1,3-dipropylpurin-8-ylidene)-1-methyl-2H-pyrazol-3-yl]oxy]acetyl]amino]benzoate
Synonyms
AS 94 | AS-94
Database Links
BindingDB Ligand 50140956
GtoPdb PubChem SID 135649963
PubChem CID 10196356
Search Google for chemical match using the InChIKey ZGYHEWXZOUTFGG-PYCFMQQDSA-N
Search Google for chemicals with the same backbone ZGYHEWXZOUTFGG
Search UniChem for chemical match using the InChIKey ZGYHEWXZOUTFGG-PYCFMQQDSA-N
Search UniChem for chemicals with the same backbone ZGYHEWXZOUTFGG