General Information of the Compound
Compound ID
CP0534125
Compound Name
3-[6-(2-methoxyethoxy)pyridin-3-yl]-2-methyl-8-pyridin-4-ylimidazo[1,2-b]pyridazine
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Structure
Formula
C20H19N5O2
Molecular Weight
361.405
Canonical SMILES
COCCOc1ccc(cn1)-c1c(C)nc2c(ccnn12)-c1ccncc1
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InChI
InChI=1S/C20H19N5O2/c1-14-19(16-3-4-18(22-13-16)27-12-11-26-2)25-20(24-14)17(7-10-23-25)15-5-8-21-9-6-15/h3-10,13H,11-12H2,1-2H3
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InChIKey
YGJXEAMJZBLXSW-UHFFFAOYSA-N
Physicochemical Property
logP
3.18692
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
74.43
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Complexity
27

"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: 52932517
SID: 123072390
ChEMBL ID
CHEMBL2180409
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: PT02512, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 102 nM
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