GSK2033   Click here for help

GtoPdb Ligand ID: 8690

Synonyms: GSK 2033 | GSK-2033
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 9
Topological polar surface area 101.42
Molecular weight 591.14
XLogP 6.51
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES Cc1cc(C)c(c(c1)C)S(=O)(=O)N(Cc1ccc(o1)C(F)(F)F)Cc1ccc(cc1)c1cccc(c1)S(=O)(=O)C
Isomeric SMILES Cc1cc(C)c(c(c1)C)S(=O)(=O)N(Cc1ccc(o1)C(F)(F)F)Cc1ccc(cc1)c1cccc(c1)S(=O)(=O)C
InChI InChI=1S/C29H28F3NO5S2/c1-19-14-20(2)28(21(3)15-19)40(36,37)33(18-25-12-13-27(38-25)29(30,31)32)17-22-8-10-23(11-9-22)24-6-5-7-26(16-24)39(4,34)35/h5-16H,17-18H2,1-4H3
InChI Key PSOXOVKYGWBTPB-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2,4,6-trimethyl-N-[[4-(3-methylsulfonylphenyl)phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide
Synonyms Click here for help
GSK 2033 | GSK-2033
Database Links Click here for help
ChEMBL Ligand CHEMBL1093266
GtoPdb PubChem SID 252166890
PubChem CID 46203250
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Tocris
GSK 2033
Cat. No. 5694