General Information of the Compound
Compound ID
CP0561713
Compound Name
1-(4-chlorophenyl)-N-cyclopropylpyrrolo[2,3-b]pyridine-2-carboxamide
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Structure
Formula
C17H14ClN3O
Molecular Weight
311.772
Canonical SMILES
Clc1ccc(cc1)-n1c(cc2cccnc12)C(=O)NC1CC1
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InChI
InChI=1S/C17H14ClN3O/c18-12-3-7-14(8-4-12)21-15(17(22)20-13-5-6-13)10-11-2-1-9-19-16(11)21/h1-4,7-10,13H,5-6H2,(H,20,22)
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InChIKey
ZXRNVWPRRUTNLN-UHFFFAOYSA-N
Physicochemical Property
logP
3.5711
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
46.92
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 149589836
ChEMBL ID
CHEMBL4745467
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 = 2900 nM
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