General Information of the Compound
Compound ID
CP0573274
Compound Name
6-(4-methylpiperazin-1-yl)-3-pyridin-4-yl-2-(3-thiophen-2-ylphenyl)imidazo[1,2-b]pyridazine
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Structure
Formula
C26H24N6S
Molecular Weight
452.587
Canonical SMILES
CN1CCN(CC1)c1ccc2nc(c(-c3ccncc3)n2n1)-c1cccc(c1)-c1cccs1
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InChI
InChI=1S/C26H24N6S/c1-30-13-15-31(16-14-30)24-8-7-23-28-25(26(32(23)29-24)19-9-11-27-12-10-19)21-5-2-4-20(18-21)22-6-3-17-33-22/h2-12,17-18H,13-16H2,1H3
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InChIKey
OGBWSKFFKIHDAT-UHFFFAOYSA-N
Physicochemical Property
logP
4.9386
Rotatable Bonds
4
Heavy Atom Count
33
Polar Areas
49.56
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Complexity
33

"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: 127035764
ChEMBL ID
CHEMBL3735817
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: PT03105, Receptor-interacting serine/threonine-protein kinase 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 270 nM
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