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Chemical structure of Pyk2-IN-2

GC74116

Pyk2-IN-2

Also known as 1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-(5-quinolin-6-yl-1H-pyrazol-3-yl)urea

Pyk2-IN-2 (compound 13j) is an inhibitor of Pyk2 with an IC50 of FAK kinase of 0·608 μM

ChemicalCAS1271418-15-5MW465.55FormulaC27H27N7O
CAS number
1271418-15-5
Molecular weight
465.55
Formula
C27H27N7O
Solubility
DMSO ： 100 mg/mL (214·80 mM; Need ultrasonic)
InChIKey
KQLHECVWPJTIGF-UHFFFAOYSA-N
Catalogue number
GC74116
Brand
GLPBIO
Computed properties PubChem CID 71450692 · XLogP 5.4 · TPSA 101 Ų · H-bond donors 3
XLogP
5.4
TPSA
101 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
35

SMILES CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=NNC(=C3)C4=CC5=C(C=C4)N=CC=C5

Computed descriptors from PubChem (CID 71450692), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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