General Information of the Compound
Compound ID
CP0460257
Compound Name
6-(4-methylpiperazin-1-yl)-2-naphthalen-1-yl-3-pyridin-4-ylimidazo[1,2-b]pyridazine
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Structure
Formula
C26H24N6
Molecular Weight
420.52
Canonical SMILES
CN1CCN(CC1)c1ccc2nc(c(-c3ccncc3)n2n1)-c1cccc2ccccc12
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InChI
InChI=1S/C26H24N6/c1-30-15-17-31(18-16-30)24-10-9-23-28-25(22-8-4-6-19-5-2-3-7-21(19)22)26(32(23)29-24)20-11-13-27-14-12-20/h2-14H,15-18H2,1H3
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InChIKey
RTWXJPNBTHXJKE-UHFFFAOYSA-N
Physicochemical Property
logP
4.3633
Rotatable Bonds
3
Heavy Atom Count
32
Polar Areas
49.56
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
32

"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: 127034760
ChEMBL ID
CHEMBL3735482
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 = 880 nM
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