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Chemical structure of Filapixant

GC63444

Filapixant

Also known as 3-[[(2R)-4-methylmorpholin-2-yl]methoxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide

Filapixant is a purinoreceptor antagonist extracted from patent WO2016091776A1, example 348

ChemicalCAS1948232-63-0MW521.56FormulaC24H26F3N5O3S
CAS number
1948232-63-0
Molecular weight
521.56
Formula
C24H26F3N5O3S
Solubility
DMSO ： 146·67 mg/mL (281·21 mM; Need ultrasonic)
InChIKey
MROBUJILSMBILX-FOIQADDNSA-N
Catalogue number
GC63444
Brand
GLPBIO
Computed properties PubChem CID 121397607 · XLogP 3.1 · TPSA 118 Ų · H-bond donors 1
XLogP
3.1
TPSA
118 Ų
H-bond donors
1
H-bond acceptors
11
Rotatable bonds
7
Heavy atoms
36

SMILES CC1=CN=C(S1)C2=CC(=CC(=C2)OC[C@H]3CN(CCO3)C)C(=O)N[C@H](C)C4=CN=C(N=C4)C(F)(F)F

Computed descriptors from PubChem (CID 121397607), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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