General Information of the Compound
Compound ID
CP0400860
Compound Name
3-hydroxyquinolin-2(1H)-one, 16
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Structure
Formula
C11H11NO2
Molecular Weight
189.214
Canonical SMILES
CCc1ccc2cc(O)c(=O)[nH]c2c1
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InChI
InChI=1S/C11H11NO2/c1-2-7-3-4-8-6-10(13)11(14)12-9(8)5-7/h3-6,13H,2H2,1H3,(H,12,14)
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InChIKey
AOGSDHLADKKXMJ-UHFFFAOYSA-N
Physicochemical Property
logP
1.7961
Rotatable Bonds
1
Heavy Atom Count
14
Polar Areas
53.09
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
14

"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: 44157568
SID: 96066366
ChEMBL ID
CHEMBL445463
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: PT02547, D-amino-acid oxidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 22600 nM
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   LI
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