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LIJTF500025

CAT: 0013-GTR19242149-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242149-02Size:50 mg
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Description
LIJTF500025 is a potent and selective LIMK inhibitor, serving as a key pharmacological tool for investigating LIMK function. It is validated for both in vitro and in vivo studies, facilitating research in areas such as cytoskeletal dynamics, cancer cell invasion, and neurological disorders.
CAS Number
2838087-03-7
Field of Research
Cell Biology
Smiles
C (N) (=O) C1=C2C (C (=O) N (CC2) [C@@H]3C (=O) N (C) C=4C (OC3) =CC (Cl) =CC4) =NN1CC5=CC=CC=C5
Molecular Formula
C24H22ClN5O4
Molecular Weight
479.92
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Lijtf500025
CAS Number2838087-03-7
PubChem CID155289331
IUPAC Name2-benzyl-6-[(3S)-8-chloro-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxamide
Molecular FormulaC24H22ClN5O4
Molecular Weight479.9
XLogP2.4
Topological Polar Surface Area111
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count34
Formal Charge0
Complexity808
SMILES
CN1C2=C(C=C(C=C2)Cl)OC[C@@H](C1=O)N3CCC4=C(N(N=C4C3=O)CC5=CC=CC=C5)C(=O)N
InChI
InChI=1S/C24H22ClN5O4/c1-28-17-8-7-15(25)11-19(17)34-13-18(23(28)32)29-10-9-16-20(24(29)33)27-30(21(16)22(26)31)12-14-5-3-2-4-6-14/h2-8,11,18H,9-10,12-13H2,1H3,(H2,26,31)/t18-/m0/s1
InChIKey
KIBQDIDFPAQGOU-SFHVURJKSA-N
Chemical Structure
2D Structure
2D structure of Lijtf500025
CAS: 2838087-03-7
CID: 155289331
Formula: C24H22ClN5O4
MW: 479.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight479.9
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass479.1360319
Monoisotopic Mass479.1360319
Topological Polar Surface Area111 Ų
Heavy Atom Count34
Formal Charge0
Complexity808
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-168908LIJTF500025

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