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GSK5182 1mg

CAT: 0628-A19383-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0628-A19383-1Size:1 mg
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CAS Number
877387-37-6

Chemical Information

Gsk5182

an estrogen-related receptor gamma inverse agonist

CAS Number877387-37-6
PubChem CID6852176
IUPAC Name4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol
Molecular FormulaC27H31NO3
Molecular Weight417.5
XLogP5.9
Topological Polar Surface Area52.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count31
Formal Charge0
Complexity525
SMILES
CN(C)CCOC1=CC=C(C=C1)/C(=C(/CCCO)\C2=CC=CC=C2)/C3=CC=C(C=C3)O
InChI
InChI=1S/C27H31NO3/c1-28(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-19-29)21-7-4-3-5-8-21/h3-5,7-8,10-17,29-30H,6,9,18-20H2,1-2H3/b27-26-
InChIKey
ZVSFNBNLNLXEFQ-RQZHXJHFSA-N
Chemical Structure
2D Structure
2D structure of Gsk5182
CAS: 877387-37-6
CID: 6852176
Formula: C27H31NO3
MW: 417.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight417.5
XLogP35.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass417.23039385
Monoisotopic Mass417.23039385
Topological Polar Surface Area52.9 Ų
Heavy Atom Count31
Formal Charge0
Complexity525
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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