SP203   Click here for help

GtoPdb Ligand ID: 6434

Synonyms: SP 203 | SP-203
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 64.92
Molecular weight 260.02
XLogP 3.36
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES FCc1scc(n1)C#Cc1cc(F)cc(c1)C#N
Isomeric SMILES FCc1scc(n1)C#Cc1cc(F)cc(c1)C#N
InChI InChI=1S/C13H6F2N2S/c14-6-13-17-12(8-18-13)2-1-9-3-10(7-16)5-11(15)4-9/h3-5,8H,6H2
InChI Key WTLBLIGPXACYET-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-fluoro-5-[2-[2-(fluoromethyl)-1,3-thiazol-4-yl]ethynyl]benzonitrile
Synonyms Click here for help
SP 203 | SP-203
Database Links Click here for help
CAS Registry No. 945933-41-5 (source: Scifinder)
ChEMBL Ligand CHEMBL229429
GtoPdb PubChem SID 178103050
PubChem CID 16737207
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UniChem Connectivity Search for chemical match using the InChIKey WTLBLIGPXACYET-UHFFFAOYSA-N