SB 271046   Click here for help

GtoPdb Ligand ID: 276

Synonyms: SB-271,046 | SB-271046 | SB271046
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 2
Rotatable bonds 5
Topological polar surface area 107.29
Molecular weight 451.08
XLogP 3.57
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1ccc(cc1N1CCNCC1)NS(=O)(=O)c1sc2c(c1C)cc(cc2)Cl
Isomeric SMILES COc1ccc(cc1N1CCNCC1)NS(=O)(=O)c1sc2c(c1C)cc(cc2)Cl
InChI InChI=1S/C20H22ClN3O3S2/c1-13-16-11-14(21)3-6-19(16)28-20(13)29(25,26)23-15-4-5-18(27-2)17(12-15)24-9-7-22-8-10-24/h3-6,11-12,22-23H,7-10H2,1-2H3
InChI Key LOCQRDBFWSXQQI-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5-chloro-N-(4-methoxy-3-piperazin-1-ylphenyl)-3-methyl-1-benzothiophene-2-sulfonamide
Synonyms Click here for help
SB-271,046 | SB-271046 | SB271046
Database Links Click here for help
BindingDB Ligand 50090525
CAS Registry No. 209481-20-9 (source: Scifinder)
ChEMBL Ligand CHEMBL431298
GtoPdb PubChem SID 135651001
PubChem CID 5312149
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Search UniChem for chemical match using the InChIKey LOCQRDBFWSXQQI-UHFFFAOYSA-N
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Wikipedia SB-271,046