General Information of the Compound
Compound ID
CP0546221
Compound Name
4-fluoro-3-[6-methoxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylbenzamide
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Structure
Formula
C19H17FN6O2
Molecular Weight
380.383
Canonical SMILES
CNC(=O)c1ccc(F)c(c1)-c1cnc2cc(-c3cnn(C)c3)c(OC)nn12
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InChI
InChI=1S/C19H17FN6O2/c1-21-18(27)11-4-5-15(20)14(6-11)16-9-22-17-7-13(12-8-23-25(2)10-12)19(28-3)24-26(16)17/h4-10H,1-3H3,(H,21,27)
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InChIKey
MIWWARHIDNFXAZ-UHFFFAOYSA-N
Physicochemical Property
logP
2.3041
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
86.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
28

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 168292440
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01411, Fibroblast growth factor receptor 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 2.6 nM
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   LI
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Protein ID: PT06924, Fibroblast growth factor receptor 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3 Mus musculus (Mouse)  1
1
IC50 = 14 nM
   TI
   LI
   LO
   TS