TZD18   Click here for help

GtoPdb Ligand ID: 2665

Synonyms: TZD 18 | TZD-18
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 11
Topological polar surface area 99.16
Molecular weight 477.16
XLogP 5.52
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES CCCc1cc(ccc1OCCCOc1cccc(c1)C1SC(=O)NC1=O)Oc1ccccc1
Isomeric SMILES CCCc1cc(ccc1OCCCOc1cccc(c1)C1SC(=O)NC1=O)Oc1ccccc1
InChI InChI=1S/C27H27NO5S/c1-2-8-19-17-23(33-21-10-4-3-5-11-21)13-14-24(19)32-16-7-15-31-22-12-6-9-20(18-22)25-26(29)28-27(30)34-25/h3-6,9-14,17-18,25H,2,7-8,15-16H2,1H3,(H,28,29,30)
InChI Key ZNLPWBJCSSSCCR-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5-[3-[3-[4-(phenoxy)-2-propylphenoxy]propoxy]phenyl]-1,3-thiazolidine-2,4-dione
Synonyms Click here for help
TZD 18 | TZD-18
Database Links Click here for help
BindingDB Ligand 50131503
CAS Registry No. 228577-00-2 (source: Scifinder)
ChEMBL Ligand CHEMBL94306
GtoPdb PubChem SID 135651287
PubChem CID 9827261
Search Google for chemical match using the InChIKey ZNLPWBJCSSSCCR-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey ZNLPWBJCSSSCCR-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey ZNLPWBJCSSSCCR-UHFFFAOYSA-N