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Chemical structure of TrkA-IN-1

GC60372

TrkA-IN-1

Also known as 1-(9H-fluoren-9-yl)-3-(2-methyl-4-phenylpyrimidin-5-yl)urea

TrkA-IN-1 is a potent and selective Tropomyosin-related kinase A (TrkA) inhibitor with an IC50 of 99 nM in a cell-based assay

ChemicalCAS1680179-43-4MW392.45FormulaC25H20N4O
CAS number
1680179-43-4
Molecular weight
392.45
Formula
C25H20N4O
Solubility
DMSO： 8·33 mg/mL (21·23 mM)
InChIKey
PKOROKYRNIDSPX-UHFFFAOYSA-N
Catalogue number
GC60372
Brand
GLPBIO
Computed properties PubChem CID 117967296 · XLogP 4.2 · TPSA 66.9 Ų · H-bond donors 2
XLogP
4.2
TPSA
66.9 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
30

SMILES CC1=NC=C(C(=N1)C2=CC=CC=C2)NC(=O)NC3C4=CC=CC=C4C5=CC=CC=C35

Computed descriptors from PubChem (CID 117967296), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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