General Information of the Compound
Compound ID
CP0472400
Compound Name
N'-benzoyl-4-hydroxy-1-methyl-2-oxoquinoline-3-carbohydrazide
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Structure
Formula
C18H15N3O4
Molecular Weight
337.335
Canonical SMILES
Cn1c2ccccc2c(O)c(C(=O)NNC(=O)c2ccccc2)c1=O
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InChI
InChI=1S/C18H15N3O4/c1-21-13-10-6-5-9-12(13)15(22)14(18(21)25)17(24)20-19-16(23)11-7-3-2-4-8-11/h2-10,22H,1H3,(H,19,23)(H,20,24)
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InChIKey
KOFKPCIKABPAPR-UHFFFAOYSA-N
Physicochemical Property
logP
1.3189
Rotatable Bonds
2
Heavy Atom Count
25
Polar Areas
100.43
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 54696404
SID: 57645991
ChEMBL ID
CHEMBL4083267
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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