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Chemical structure of TP 003

GC16360

TP 003

Also known as 5-fluoro-2-[2-fluoro-5-[8-fluoro-7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]benzonitrile

GABAA receptor (α3 subtype) partial agonist

ChemicalCAS628690-75-5MW407.39FormulaC23H16F3N3O
CAS number
628690-75-5
Molecular weight
407.39
Formula
C23H16F3N3O
Solubility
＜40·74mg/ml in DMSO; ＜20·37mg/ml in ethanol
InChIKey
SJMMDWXJSSJHOQ-UHFFFAOYSA-N
Catalogue number
GC16360
Brand
GLPBIO
Computed properties PubChem CID 10001434 · XLogP 4.8 · TPSA 61.3 Ų · H-bond donors 1
XLogP
4.8
TPSA
61.3 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
30

SMILES CC(C)(C1=C(C2=NC=C(N2C=C1)C3=CC(=C(C=C3)F)C4=C(C=C(C=C4)F)C#N)F)O

Computed descriptors from PubChem (CID 10001434), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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