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Chemical structure of RET-IN-3

GC61243

RET-IN-3

Also known as N-[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylpropane-1,3-diamine

RET-IN-3 (compound 34) is a selective RETV804M kinase inhibitor, with an IC50 of 19 nM

ChemicalCAS2414374-53-9MW339.39FormulaC18H21N5O2
CAS number
2414374-53-9
Molecular weight
339.39
Formula
C18H21N5O2
InChIKey
DQYRQFLRDJTHQM-UHFFFAOYSA-N
Catalogue number
GC61243
Brand
GLPBIO
Computed properties PubChem CID 146018674 · XLogP 2.5 · TPSA 63.9 Ų · H-bond donors 1
XLogP
2.5
TPSA
63.9 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
25

SMILES CN(C)CCCNC1=NC2=C(C=NN2C=C1)C3=CC4=C(C=C3)OCO4

Computed descriptors from PubChem (CID 146018674), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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