AC261066   Click here for help

GtoPdb Ligand ID: 4054

Synonyms: AC 261066 | AC-261066
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 96.89
Molecular weight 353.11
XLogP 3.35
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCCCOCCOc1nc(sc1C)c1ccc(c(c1)F)C(=O)O
Isomeric SMILES CCCCOCCOc1nc(sc1C)c1ccc(c(c1)F)C(=O)O
InChI InChI=1S/C17H20FNO4S/c1-3-4-7-22-8-9-23-15-11(2)24-16(19-15)12-5-6-13(17(20)21)14(18)10-12/h5-6,10H,3-4,7-9H2,1-2H3,(H,20,21)
InChI Key HSAOETBFVAWNRP-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-[4-(2-butoxyethoxy)-5-methyl-1,3-thiazol-2-yl]-2-fluorobenzoic acid
Synonyms Click here for help
AC 261066 | AC-261066
Database Links Click here for help
CAS Registry No. 870773-76-5 (source: Scifinder)
ChEMBL Ligand CHEMBL198997
GtoPdb PubChem SID 178100878
PubChem CID 11530459
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Tocris
AC 261066
Cat. No. 4046