HJC 0350   Click here for help

GtoPdb Ligand ID: 6556

Synonyms: HJC0350
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 47.45
Molecular weight 277.11
XLogP 3.48
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Cc1cc(C)c(c(c1)C)S(=O)(=O)n1cc(cc1C)C
Isomeric SMILES Cc1cc(C)c(c(c1)C)S(=O)(=O)n1cc(cc1C)C
InChI InChI=1S/C15H19NO2S/c1-10-6-12(3)15(13(4)7-10)19(17,18)16-9-11(2)8-14(16)5/h6-9H,1-5H3
InChI Key AFZWZVLPIMHLSE-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2,4-dimethyl-1-(2,4,6-trimethylphenyl)sulfonylpyrrole
Synonyms Click here for help
HJC0350
Database Links Click here for help
CAS Registry No. 885434-70-8 (source: Scifinder)
ChEMBL Ligand CHEMBL2313646
GtoPdb PubChem SID 178103170
PubChem CID 22200891
Search Google for chemical match using the InChIKey AFZWZVLPIMHLSE-UHFFFAOYSA-N
Search Google for chemicals with the same backbone AFZWZVLPIMHLSE
Search UniChem for chemical match using the InChIKey AFZWZVLPIMHLSE-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone AFZWZVLPIMHLSE

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Tocris
HJC 0350
Cat. No. 4844