tracazolate

Ligand id: 5467

Name: tracazolate

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 69.04
Molecular weight 304.19
XLogP 2.76
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
ethyl 4-(butylamino)-1-ethyl-6-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
International Nonproprietary Names
INN number INN
4959 tracazolate
Synonyms
ICI-136,753 | ICI-136753
Database Links
CAS Registry No. 41094-88-6
ChEMBL Ligand CHEMBL84567
PubChem CID 5522
Search Google for chemical match using the InChIKey PCTRYMLLRKWXGF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone PCTRYMLLRKWXGF
Search PubMed clinical trials tracazolate
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Search UniChem for chemical match using the InChIKey PCTRYMLLRKWXGF-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone PCTRYMLLRKWXGF
Wikipedia Tracazolate