General Information of the Compound
Compound ID
CP0519935
Compound Name
7-Chloro-4-hydroxy-N′-octanoyl-2-oxo-2-hydroquinoline-3-carbohydrazide
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Structure
Formula
C18H22ClN3O4
Molecular Weight
379.844
Canonical SMILES
CCCCCCCC(=O)NNC(=O)c1c(O)c2ccc(Cl)cc2[nH]c1=O
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InChI
InChI=1S/C18H22ClN3O4/c1-2-3-4-5-6-7-14(23)21-22-18(26)15-16(24)12-9-8-11(19)10-13(12)20-17(15)25/h8-10H,2-7H2,1H3,(H,21,23)(H,22,26)(H2,20,24,25)
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InChIKey
MWWNCZJVJAWXGZ-UHFFFAOYSA-N
Physicochemical Property
logP
3.0086
Rotatable Bonds
7
Heavy Atom Count
26
Polar Areas
111.29
Hydrogen Bond Donor Count
4
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: 71547418
SID: 163546503
ChEMBL ID
CHEMBL4074837
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 = 9000 nM
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