General Information of the Compound
Compound ID
CP0474694
Compound Name
3-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methyl-8-pyridin-3-ylimidazo[1,2-a]pyrazine
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Structure
Formula
C18H18N6O
Molecular Weight
334.383
Canonical SMILES
COCCn1cc(cn1)-c1c(C)nc2c(nccn12)-c1cccnc1
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InChI
InChI=1S/C18H18N6O/c1-13-17(15-11-21-23(12-15)8-9-25-2)24-7-6-20-16(18(24)22-13)14-4-3-5-19-10-14/h3-7,10-12H,8-9H2,1-2H3
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InChIKey
XVHQZQFXRZSDJT-UHFFFAOYSA-N
Physicochemical Property
logP
2.60962
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
70.13
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
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: 71139084
ChEMBL ID
CHEMBL3262047
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
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 562.34 nM
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