General Information of the Compound
Compound ID
CP0553030
Compound Name
N-Cyclopropyl-3-(3,4-dichlorophenyl)-3H-imidazo[4,5-b]pyridine-2-carboxamide
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Structure
Formula
C16H12Cl2N4O
Molecular Weight
347.205
Canonical SMILES
Clc1ccc(cc1Cl)-n1c(nc2cccnc12)C(=O)NC1CC1
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InChI
InChI=1S/C16H12Cl2N4O/c17-11-6-5-10(8-12(11)18)22-14-13(2-1-7-19-14)21-15(22)16(23)20-9-3-4-9/h1-2,5-9H,3-4H2,(H,20,23)
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InChIKey
LZTJYRYBQLTRFF-UHFFFAOYSA-N
Physicochemical Property
logP
3.6195
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
59.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 90343287
ChEMBL ID
CHEMBL4747304
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 nM
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