General Information of the Compound
Compound ID
CP0408133
Compound Name
N-(2,3-dihydro-1H-inden-1-yl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
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Structure
Formula
C17H16N4O
Molecular Weight
292.342
Canonical SMILES
Cc1cnc2c(cnn2c1)C(=O)NC1CCc2ccccc12
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InChI
InChI=1S/C17H16N4O/c1-11-8-18-16-14(9-19-21(16)10-11)17(22)20-15-7-6-12-4-2-3-5-13(12)15/h2-5,8-10,15H,6-7H2,1H3,(H,20,22)
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InChIKey
XRUURHUNHZFRCJ-UHFFFAOYSA-N
Physicochemical Property
logP
2.45502
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
59.29
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 137647474
ChEMBL ID
CHEMBL4083192
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 = 49000 nM
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