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Chemical structure of Tubulin/JAK2-IN-1

GC75606

Tubulin/JAK2-IN-1

Also known as N-(1H-indol-4-yl)-5-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine

Tubulin/JAK2-IN-1 (compound 7g) is a dual inhibitor of Janus kinase 2 (JAK2) and microtubule

ChemicalCAS2933938-46-4MW416.43FormulaC22H20N6O3
CAS number
2933938-46-4
Molecular weight
416.43
Formula
C22H20N6O3
Solubility
DMSO： 100 mg/mL (240·14 mM; Need ultrasonic)
InChIKey
IHXNYNVXRKFVPV-UHFFFAOYSA-N
Catalogue number
GC75606
Brand
GLPBIO
Computed properties PubChem CID 169450726 · XLogP 3.7 · TPSA 98.6 Ų · H-bond donors 2
XLogP
3.7
TPSA
98.6 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
31

SMILES COC1=CC(=CC(=C1OC)OC)C2=NC=CC3=NC(=NN32)NC4=CC=CC5=C4C=CN5

Computed descriptors from PubChem (CID 169450726), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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