AS16

Ligand id: 438

Name: AS16

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 118.94
Molecular weight 554.25
XLogP 4.92
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[(5Z)-5-(2,6-dioxo-1,3-dipropylpurin-8-ylidene)-1-methyl-2H-pyrazol-3-yl]-2-[4-(phenylmethoxy)phenyl]acetamide
Synonyms
AS 16 | AS-16
Database Links
BindingDB Ligand 50140968
GtoPdb PubChem SID 135649960
PubChem CID 10196533
Search Google for chemical match using the InChIKey ZRBMCMRRVYCKPT-VYIQYICTSA-N
Search Google for chemicals with the same backbone ZRBMCMRRVYCKPT
Search UniChem for chemical match using the InChIKey ZRBMCMRRVYCKPT-VYIQYICTSA-N
Search UniChem for chemicals with the same backbone ZRBMCMRRVYCKPT