General Information of the Compound
Compound ID
CP0554124
Compound Name
N-[3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-4-propoxyphenyl]-2-piperidin-1-ylacetamide
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Structure
Formula
C24H34N4O3
Molecular Weight
426.561
Canonical SMILES
CCCOc1ccc(NC(=O)CN2CCCCC2)cc1-c1nc(CC)c(CC)c(=O)[nH]1
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InChI
InChI=1S/C24H34N4O3/c1-4-14-31-21-11-10-17(25-22(29)16-28-12-8-7-9-13-28)15-19(21)23-26-20(6-3)18(5-2)24(30)27-23/h10-11,15H,4-9,12-14,16H2,1-3H3,(H,25,29)(H,26,27,30)
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InChIKey
MUBCHHXJJJJCOU-UHFFFAOYSA-N
Physicochemical Property
logP
3.7749
Rotatable Bonds
9
Heavy Atom Count
31
Polar Areas
87.32
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
31

"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: 136197398
ChEMBL ID
CHEMBL4572238
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: PT01176, cGMP-specific 3',5'-cyclic phosphodiesterase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 1.46 nM
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