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Chemical structure of FAK-IN-14

GC73575

FAK-IN-14

Also known as 3-[[5-bromo-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]-N-methylthiophene-2-carboxamide

FAK-IN-14 (compound 8d) is a focal adhesion kinase(FAK) inhibitor with an IC50 value of 0·2438 nM

ChemicalCAS2766666-22-0MW502.43FormulaC21H24BrN7OS
CAS number
2766666-22-0
Molecular weight
502.43
Formula
C21H24BrN7OS
Solubility
DMSO ： 25 mg/mL (49·76 mM; Need ultrasonic)
InChIKey
SDQZXGWKKZXIEP-UHFFFAOYSA-N
Catalogue number
GC73575
Brand
GLPBIO
Computed properties PubChem CID 169450787 · XLogP 4.4 · TPSA 114 Ų · H-bond donors 3
XLogP
4.4
TPSA
114 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
31

SMILES CNC(=O)C1=C(C=CS1)NC2=NC(=NC=C2Br)NC3=CC=C(C=C3)N4CCN(CC4)C

Computed descriptors from PubChem (CID 169450787), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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