General Information of the Compound
Compound ID
CP0636507
Compound Name
6-Hydroxy-4-phenyl-N-propyl-benzo[4,5]furo[2,3-b]pyridine-3-carboxamide
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Structure
Formula
C21H18N2O3
Molecular Weight
346.386
Canonical SMILES
CCCNC(=O)c1cnc2oc3ccc(O)cc3c2c1-c1ccccc1
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InChI
InChI=1S/C21H18N2O3/c1-2-10-22-20(25)16-12-23-21-19(18(16)13-6-4-3-5-7-13)15-11-14(24)8-9-17(15)26-21/h3-9,11-12,24H,2,10H2,1H3,(H,22,25)
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InChIKey
WYMMXVHLOHGELE-UHFFFAOYSA-N
Physicochemical Property
logP
4.4934
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
75.36
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 90667799
ChEMBL ID
CHEMBL3221394
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: PT00962, Glycogen synthase kinase-3 beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 4400 nM
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   LI
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