SM19712

Ligand id: 5272

Name: SM19712

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 125.26
Molecular weight 438.04
XLogP 4.37
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
sodium 1-[(4-chlorobenzene)sulfonyl]-3-(4-cyano-3-methyl-1-phenyl-1H-pyrazol-5-yl)urea
Synonyms
SM-19712
Database Links
CAS Registry No. 194542-56-8
PubChem CID 73755112
Search Google for chemical match using the InChIKey XJBBHNFWWJTEGW-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey XJBBHNFWWJTEGW-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone XJBBHNFWWJTEGW