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CAY10786

CAT: 0931-T36036-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T36036-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1239987-91-7
Target
Others, GPCR
Related Pathways
Others, GPCR/G Protein, Endocrinology/Hormones
Purity
0.9984
Bioactivity
CAY10786 (GPR52 antagonist-1) is an antagonist of G protein-coupled receptor 52 (GPR52, IC50 = 0.63 μM) .
Smiles
O=C(\C=C\CCc1ccccc1)c1cccs1
Molecular Formula
C15H14OS
Molecular Weight
242.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

GPR52 antagonist-1
CAS Number1239987-91-7
PubChem CID156588927
IUPAC Name(E)-5-phenyl-1-thiophen-2-ylpent-2-en-1-one
Molecular FormulaC15H14OS
Molecular Weight242.3
XLogP4.3
Topological Polar Surface Area45.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count17
Formal Charge0
Complexity266
SMILES
C1=CC=C(C=C1)CC/C=C/C(=O)C2=CC=CS2
InChI
InChI=1S/C15H14OS/c16-14(15-11-6-12-17-15)10-5-4-9-13-7-2-1-3-8-13/h1-3,5-8,10-12H,4,9H2/b10-5+
InChIKey
XUIAIACHIPOOHR-BJMVGYQFSA-N
Chemical Structure
2D Structure
2D structure of GPR52 antagonist-1
CAS: 1239987-91-7
CID: 156588927
Formula: C15H14OS
MW: 242.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight242.3
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass242.07653624
Monoisotopic Mass242.07653624
Topological Polar Surface Area45.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity266
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
M28063-01CAY10786

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