General Information of the Compound
Compound ID
CP0547909
Compound Name
N-hexyl-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide
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Structure
Formula
C17H22N2O3
Molecular Weight
302.374
Canonical SMILES
CCCCCCNC(=O)c1c(O)c2ccccc2n(C)c1=O
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InChI
InChI=1S/C17H22N2O3/c1-3-4-5-8-11-18-16(21)14-15(20)12-9-6-7-10-13(12)19(2)17(14)22/h6-7,9-10,20H,3-5,8,11H2,1-2H3,(H,18,21)
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InChIKey
YLGBCUSSYMRKFH-UHFFFAOYSA-N
Physicochemical Property
logP
2.5542
Rotatable Bonds
6
Heavy Atom Count
22
Polar Areas
71.33
Hydrogen Bond Donor Count
2
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: 54687035
ChEMBL ID
CHEMBL4084115
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
IC50 > 20000 nM
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