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GPR40 Activator 1 25mg

CAT: 0628-A21154-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A21154-25Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1309435-60-6

Chemical Information

GPR40 Activator 1
CAS Number1309435-60-6
PubChem CID52936292
IUPAC Name(3S)-3-[4-[[5-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)thiophen-2-yl]methoxy]phenyl]hex-4-ynoic acid
Molecular FormulaC31H31NO3S
Molecular Weight497.6
XLogP3.8
Topological Polar Surface Area78
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count36
Formal Charge0
Complexity842
SMILES
CC#C[C@@H](CC(=O)O)C1=CC=C(C=C1)OCC2=CC=C(S2)CN3CCC4(CC3)C=CC5=CC=CC=C45
InChI
InChI=1S/C31H31NO3S/c1-2-5-25(20-30(33)34)23-8-10-26(11-9-23)35-22-28-13-12-27(36-28)21-32-18-16-31(17-19-32)15-14-24-6-3-4-7-29(24)31/h3-4,6-15,25H,16-22H2,1H3,(H,33,34)/t25-/m0/s1
InChIKey
YSVQUSMRABAJAR-VWLOTQADSA-N
Chemical Structure
2D Structure
2D structure of GPR40 Activator 1
CAS: 1309435-60-6
CID: 52936292
Formula: C31H31NO3S
MW: 497.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight497.6
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass497.20246502
Monoisotopic Mass497.20246502
Topological Polar Surface Area78 Ų
Heavy Atom Count36
Formal Charge0
Complexity842
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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