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Chemical structure of TNIK-IN-1

GC72953

TNIK-IN-1

Also known as 5-[(4-acetamidobenzoyl)amino]-2-anilino-1,3-thiazole-4-carboxamide

TNIK-IN-1 (Compound 1) is an inhibitor of Traf2 and Nck-interacting kinase (TNIK), with IC50 of 65 nM, that has antitumor activity

ChemicalCAS933886-36-3MW395.43FormulaC19H17N5O3S
CAS number
933886-36-3
Molecular weight
395.43
Formula
C19H17N5O3S
Solubility
DMSO ： 100 mg/mL (252·89 mM; Need ultrasonic)
InChIKey
OOYMGIRITPQNDA-UHFFFAOYSA-N
Catalogue number
GC72953
Brand
GLPBIO
Computed properties PubChem CID 17250844 · XLogP 2.9 · TPSA 154 Ų · H-bond donors 4
XLogP
2.9
TPSA
154 Ų
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
28

SMILES CC(=O)NC1=CC=C(C=C1)C(=O)NC2=C(N=C(S2)NC3=CC=CC=C3)C(=O)N

Computed descriptors from PubChem (CID 17250844), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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