General Information of the Compound
Compound ID
CP0546169
Compound Name
N-methyl-3-[7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide
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Structure
Formula
C18H16N6O
Molecular Weight
332.367
Canonical SMILES
CNC(=O)c1cccc(c1)-c1cnc2cc(cnn12)-c1cnn(C)c1
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InChI
InChI=1S/C18H16N6O/c1-19-18(25)13-5-3-4-12(6-13)16-10-20-17-7-14(8-22-24(16)17)15-9-21-23(2)11-15/h3-11H,1-2H3,(H,19,25)
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InChIKey
QLRGZHSLCMSKID-UHFFFAOYSA-N
Physicochemical Property
logP
2.1564
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
77.11
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
25

"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: 168278372
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 = 68 nM
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