AS95

Ligand id: 441

Name: AS95

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 13
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 156.24
Molecular weight 508.19
XLogP 0.97
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[[2-[[(5Z)-5-(2,6-dioxo-1,3-dipropylpurin-8-ylidene)-1-methyl-2H-pyrazol-3-yl]oxy]acetyl]amino]benzoic acid
Synonyms
AS 95 | AS-95
Database Links
BindingDB Ligand 50140943
PubChem CID 10152438
Search Google for chemical match using the InChIKey GZUUJTYJVPFFTI-SILNSSARSA-N
Search Google for chemicals with the same backbone GZUUJTYJVPFFTI
Search UniChem for chemical match using the InChIKey GZUUJTYJVPFFTI-SILNSSARSA-N
Search UniChem for chemicals with the same backbone GZUUJTYJVPFFTI