General Information of the Compound
Compound ID
CP0575346
Compound Name
N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-(oxolan-3-yloxy)imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide
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Structure
Formula
C21H21N7O3
Molecular Weight
419.445
Canonical SMILES
CNC(=O)c1cncc(c1)-c1cnc2cc(-c3cnn(C)c3)c(OC3CCOC3)nn12
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InChI
InChI=1S/C21H21N7O3/c1-22-20(29)14-5-13(7-23-8-14)18-10-24-19-6-17(15-9-25-27(2)11-15)21(26-28(18)19)31-16-3-4-30-12-16/h5-11,16H,3-4,12H2,1-2H3,(H,22,29)
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InChIKey
XNMAPUNKOCMYMH-UHFFFAOYSA-N
Physicochemical Property
logP
1.7191
Rotatable Bonds
5
Heavy Atom Count
31
Polar Areas
108.46
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
9
Complexity
31

"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: 168296612
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 = 2.2 nM
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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 = 969 nM
   TI
   LI
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   TS