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Chemical structure of TAO Kinase inhibitor 2

GC75527

TAO Kinase inhibitor 2

Also known as N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-4-phenoxybenzamide

TAO Kinase inhibitor 2 (Example 49) is a TAO Kinase inhibitor (IC50=between 50 and 500 nM)

ChemicalCAS850467-77-5MW400.47FormulaC25H24N2O3
CAS number
850467-77-5
Molecular weight
400.47
Formula
C25H24N2O3
Solubility
DMSO: ≥ 100 mg/mL (249·71 mM)
InChIKey
LYJAJWGXMOKLOA-UHFFFAOYSA-N
Catalogue number
GC75527
Brand
GLPBIO
Computed properties PubChem CID 4883292 · XLogP 4.4 · TPSA 67.4 Ų · H-bond donors 2
XLogP
4.4
TPSA
67.4 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
30

SMILES C1CC(C2=CC=CC=C2C1)NC(=O)CNC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Computed descriptors from PubChem (CID 4883292), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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