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Chemical structure of (-)-GSK598809

GC34948

(-)-GSK598809

Also known as 5-[5-[3-[(1S,5R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]propylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-4-methyl-1,3-oxazole

(-)-GSK598809 is an isomer of GSK598809

ChemicalCAS863680-46-0MW481.51FormulaC22H23F4N5OS
CAS number
863680-46-0
Molecular weight
481.51
Formula
C22H23F4N5OS
Solubility
DMSO ： 83·33 mg/mL (173·06 mM; Need ultrasonic); 1M HCl ： 28·57 mg/mL (59·33 mM; ultrasonic and adjust pH to 2 with HCl)
InChIKey
ZKRWPAYTJMRKLJ-BTYIYWSLSA-N
Catalogue number
GC34948
Brand
GLPBIO
Computed properties PubChem CID 11784937 · XLogP 4.1 · TPSA 85.3 Ų · H-bond donors 0
XLogP
4.1
TPSA
85.3 Ų
H-bond donors
0
H-bond acceptors
10
Rotatable bonds
7
Heavy atoms
33

SMILES CC1=C(OC=N1)C2=NN=C(N2C)SCCCN3C[C@@H]4C[C@@]4(C3)C5=C(C=C(C=C5)C(F)(F)F)F

Computed descriptors from PubChem (CID 11784937), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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