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Chemical structure of CLK1-IN-1

GC30245

CLK1-IN-1

Also known as 5-[1-[(1S)-1-(4-fluorophenyl)ethyl]triazolo[4,5-c]quinolin-8-yl]-1,3-benzoxazole

CLK1-IN-1 is a potent and selective of Cdc2-like kinase 1 (CLK1) inhibitor, with an IC50 of 2 nM

ChemicalCAS2123491-32-5MW409.42FormulaC24H16FN5O
CAS number
2123491-32-5
Molecular weight
409.42
Formula
C24H16FN5O
Solubility
DMSO ： ≥ 50 mg/mL (122·12 mM)
InChIKey
BHKVSOQUPYXVRZ-AWEZNQCLSA-N
Catalogue number
GC30245
Brand
GLPBIO
Computed properties PubChem CID 129318964 · XLogP 4.9 · TPSA 69.6 Ų · H-bond donors 0
XLogP
4.9
TPSA
69.6 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
31

SMILES C[C@@H](C1=CC=C(C=C1)F)N2C3=C4C=C(C=CC4=NC=C3N=N2)C5=CC6=C(C=C5)OC=N6

Computed descriptors from PubChem (CID 129318964), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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