General Information of the Compound
Compound ID
CP0564777
Compound Name
N-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
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Structure
Formula
C16H16N4O2
Molecular Weight
296.33
Canonical SMILES
COc1ccc(CNC(=O)c2cnn3cc(C)cnc23)cc1
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InChI
InChI=1S/C16H16N4O2/c1-11-7-17-15-14(9-19-20(15)10-11)16(21)18-8-12-3-5-13(22-2)6-4-12/h3-7,9-10H,8H2,1-2H3,(H,18,21)
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InChIKey
DEADENQZZCEXQI-UHFFFAOYSA-N
Physicochemical Property
logP
1.97632
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
68.52
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
22

"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: 137658255
ChEMBL ID
CHEMBL4103591
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: PT02047, cGMP-dependent 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 = 52000 nM
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