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Chemical structure of CCT196969

GC19091

CCT196969

Also known as 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[2-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea

CCT196969, a pan-Raf inhibitor, inhibits B-Raf with an IC50 of 0·1 uM

ChemicalCAS1163719-56-9MW513.52FormulaC27H24FN7O3
CAS number
1163719-56-9
Molecular weight
513.52
Formula
C27H24FN7O3
Solubility
DMSO ： ≥ 32 mg/mL (62·32 mM)
InChIKey
KYYKGSDLXXKQCR-UHFFFAOYSA-N
Catalogue number
GC19091
Brand
GLPBIO
Computed properties PubChem CID 42628843 · XLogP 4.2 · TPSA 123 Ų · H-bond donors 3
XLogP
4.2
TPSA
123 Ų
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
38

SMILES CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C(=NC=C3)NC(=O)C=N4)F)C5=CC=CC=C5

Computed descriptors from PubChem (CID 42628843), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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