General Information of the Compound
Compound ID
CP0446900
Compound Name
7-Chloro-4-hydroxy-1-methyl-N′-octanoyl-2-oxo-1,2-dihydroquinoline-3-carbohydrazide
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Structure
Formula
C19H24ClN3O4
Molecular Weight
393.871
Canonical SMILES
CCCCCCCC(=O)NNC(=O)c1c(O)c2ccc(Cl)cc2n(C)c1=O
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InChI
InChI=1S/C19H24ClN3O4/c1-3-4-5-6-7-8-15(24)21-22-18(26)16-17(25)13-10-9-12(20)11-14(13)23(2)19(16)27/h9-11,25H,3-8H2,1-2H3,(H,21,24)(H,22,26)
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InChIKey
HNTRJFZPDXLBON-UHFFFAOYSA-N
Physicochemical Property
logP
3.019
Rotatable Bonds
7
Heavy Atom Count
27
Polar Areas
100.43
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 71547655
SID: 163546768
ChEMBL ID
CHEMBL4085086
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 = 6660 nM
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