CHEBI:91190 - GS4012 free base

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ChEBI Name GS4012 free base
ChEBI ID CHEBI:91190
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C14H15NOS
Net Charge 0
Average Mass 245.342
Monoisotopic Mass 245.08744
InChI InChI=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
InChIKey IUWQYMDPRUPDGB-UHFFFAOYSA-N
SMILES C=1C=NC=CC1CCSC=2C=CC(=CC2)OC
Roles Classification
Biological Role(s): VEGF activator
Any activator of vascular endothelial growth factor (VEGF).
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ChEBI Ontology
Outgoing 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 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 Number Type Source
11344081 Reaxys Registry Number Reaxys
Last Modified
15 February 2016