General Information of the Compound
Compound ID
CP0574904
Compound Name
3-ethyl-7-(3-methoxyanilino)pyrazolo[1,5-a]pyrimidine-6-carboxamide
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Structure
Formula
C16H17N5O2
Molecular Weight
311.345
Canonical SMILES
CCc1cnn2c(Nc3cccc(OC)c3)c(cnc12)C(N)=O
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InChI
InChI=1S/C16H17N5O2/c1-3-10-8-19-21-15(10)18-9-13(14(17)22)16(21)20-11-5-4-6-12(7-11)23-2/h4-9,20H,3H2,1-2H3,(H2,17,22)
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InChIKey
KGLHLZYBYAUNGT-UHFFFAOYSA-N
Physicochemical Property
logP
2.1428
Rotatable Bonds
5
Heavy Atom Count
23
Polar Areas
94.54
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
23

"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: 127038253
ChEMBL ID
CHEMBL3747423
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: PT01305, 3',5'-cyclic-AMP phosphodiesterase 4B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 38 nM
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