General Information of the Compound
Compound ID
CP0550308
Compound Name
N-methyl-3-[7-(1-methylpyrazol-4-yl)-6-(oxolan-3-yloxy)imidazo[1,2-b]pyridazin-3-yl]benzamide
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Formula
C22H22N6O3
Molecular Weight
418.457
Canonical SMILES
CNC(=O)c1cccc(c1)-c1cnc2cc(-c3cnn(C)c3)c(OC3CCOC3)nn12
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InChI
InChI=1S/C22H22N6O3/c1-23-21(29)15-5-3-4-14(8-15)19-11-24-20-9-18(16-10-25-27(2)12-16)22(26-28(19)20)31-17-6-7-30-13-17/h3-5,8-12,17H,6-7,13H2,1-2H3,(H,23,29)
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InChIKey
ZZWQREKFRLSPQU-UHFFFAOYSA-N
Physicochemical Property
logP
2.3241
Rotatable Bonds
5
Heavy Atom Count
31
Polar Areas
95.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
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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ChEMBL ID
CHEMBL5196280
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 = 2.4 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 = 42 nM
   TI
   LI
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   TS