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CHEBI:91190 - GS4012 free base

ChEBI IDCHEBI:91190
ChEBI NameGS4012 free base
Stars
DefinitionA member of the class of pyridines that is 2-(pyridin-4-yl)ethane-1-thiol in which the thiol hydrogen is replaced by a 4-methoxyphenyl group.
Last Modified15 February 2016
SubmitterSteve
DownloadsMolfile
FormulaC14H15NOS
Net Charge0
Average Mass245.347
Monoisotopic Mass245.08744
SMILESCOc1ccc(SCCc2ccncc2)cc1
InChIInChI=1S/C14H15NOS/c1-16-13-2-4-14(5-3-13)17-11-8-12-6-9-15-10-7-12/h2-7,9-10H,8,11H2,1H3
InChIKeyIUWQYMDPRUPDGB-UHFFFAOYSA-N
Roles Classification
Biological Role:
VEGF activator  Any activator of vascular endothelial growth factor (VEGF).
ChEBI Ontology
Outgoing Relation(s)
GS4012 free base (CHEBI:91190) has role VEGF activator (CHEBI:91189)
GS4012 free base (CHEBI:91190) is a aryl sulfide (CHEBI:35683)
GS4012 free base (CHEBI:91190) is a monomethoxybenzene (CHEBI:25235)
GS4012 free base (CHEBI:91190) is a pyridines (CHEBI:26421)
GS4012 free base (CHEBI:91190) is conjugate base of GS4012 free base(1+) (CHEBI:91191)
Incoming Relation(s)
GS4012 free base(1+) (CHEBI:91191) is conjugate acid of GS4012 free base (CHEBI:91190)
IUPAC Name 
4-{2-[(4-methoxyphenyl)sulfanyl]ethyl}pyridine
Registry NumbersSources
Reaxys:11344081Reaxys