GSK0660   Click here for help

GtoPdb Ligand ID: 3441

Synonyms: GSK 0660 | GSK-0660
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 130.35
Molecular weight 418.07
XLogP 2.79
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COC(=O)c1sccc1S(=O)(=O)Nc1ccc(cc1OC)Nc1ccccc1
Isomeric SMILES COC(=O)c1sccc1S(=O)(=O)Nc1ccc(cc1OC)Nc1ccccc1
InChI InChI=1S/C19H18N2O5S2/c1-25-16-12-14(20-13-6-4-3-5-7-13)8-9-15(16)21-28(23,24)17-10-11-27-18(17)19(22)26-2/h3-12,20-21H,1-2H3
InChI Key NDFKBGWLUHKMFY-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
methyl 3-[(4-anilino-2-methoxy-phenyl)sulfamoyl]thiophene-2-carboxylate
Synonyms Click here for help
GSK 0660 | GSK-0660
Database Links Click here for help
CAS Registry No. 1014691-61-2 (source: Scifinder)
ChEMBL Ligand CHEMBL592652
GtoPdb PubChem SID 178100441
PubChem CID 46233311
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Tocris
GSK 0660
Cat. No. 3433