General Information of the Compound
Compound ID
CP0507933
Compound Name
ethyl 1-ethyl-4-pyrrolidin-1-ylpyrazolo[3,4-b]pyridine-5-carboxylate
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Structure
Formula
C15H20N4O2
Molecular Weight
288.351
Canonical SMILES
CCOC(=O)c1cnc2n(CC)ncc2c1N1CCCC1
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InChI
InChI=1S/C15H20N4O2/c1-3-19-14-11(10-17-19)13(18-7-5-6-8-18)12(9-16-14)15(20)21-4-2/h9-10H,3-8H2,1-2H3
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InChIKey
QGABASIWTCMUEO-UHFFFAOYSA-N
Physicochemical Property
logP
2.2281
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
60.25
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
21

"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: 21823929
ChEMBL ID
CHEMBL471739
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 = 630.96 nM
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