General Information of the Compound
Compound ID
CP0553270
Compound Name
4-[3-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine
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Structure
Formula
C18H23N5O2
Molecular Weight
341.415
Canonical SMILES
COCCn1ccc(c1)-c1c(C)nc2c(nccn12)N1CCOCC1
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InChI
InChI=1S/C18H23N5O2/c1-14-16(15-3-5-21(13-15)7-10-24-2)23-6-4-19-17(18(23)20-14)22-8-11-25-12-9-22/h3-6,13H,7-12H2,1-2H3
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InChIKey
SWJKHBJVAYGKOM-UHFFFAOYSA-N
Physicochemical Property
logP
1.98922
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
56.82
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: 53380289
SID: 125302868
ChEMBL ID
CHEMBL3394340
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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