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Wnt pathway inhibitor 5

CAT: 0804-HY-169730Size: 1 EachDry Ice: NoHazardous: No
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Description
Wnt pathway inhibitor 5 (Compound 28) is wnt pathway inhibitor, with an IC50 value of [1].
CAS Number
1385817-77-5
UNSPSC
12352005
Target
Wnt
Related Pathways
Stem Cell/Wnt
Applications
Cancer-programmed cell death
Field of Research
Cancer
Smiles
FC1=NC=CC(C2=C(F)C=C(CNC3=NC=CC4=C3C=NC(C5=CC(C)=NC=C5)=C4)C=C2)=C1
Molecular Formula
C26H19F2N5
Molecular Weight
439.46
References & Citations
[1]Songzhu An, et al. Compound as wnt signaling inhibitor, composition, and use thereof. WO2013185353A1. WIPO. 2012-06-15.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N-(3-Fluoro-4-(2-fluoropyridin-4-YL)benzyl)-6-(2-methylpyridin-4-YL)-2,7-naphthyridin-1-amine
CAS Number1385817-77-5
PubChem CID71618585
IUPAC NameN-[[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine
Molecular FormulaC26H19F2N5
Molecular Weight439.5
XLogP4.9
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity623
SMILES
CC1=NC=CC(=C1)C2=NC=C3C(=C2)C=CN=C3NCC4=CC(=C(C=C4)C5=CC(=NC=C5)F)F
InChI
InChI=1S/C26H19F2N5/c1-16-10-20(6-7-29-16)24-12-18-5-9-31-26(22(18)15-32-24)33-14-17-2-3-21(23(27)11-17)19-4-8-30-25(28)13-19/h2-13,15H,14H2,1H3,(H,31,33)
InChIKey
LQBIMMCPTIPDGX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3-Fluoro-4-(2-fluoropyridin-4-YL)benzyl)-6-(2-methylpyridin-4-YL)-2,7-naphthyridin-1-amine
CAS: 1385817-77-5
CID: 71618585
Formula: C26H19F2N5
MW: 439.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight439.5
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass439.16085195
Monoisotopic Mass439.16085195
Topological Polar Surface Area63.6 Ų
Heavy Atom Count33
Formal Charge0
Complexity623
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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