General Information of the Compound
Compound ID
CP0296215
Compound Name
3-hydroxyquinolin-2(1H)-one, 5
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Structure
Formula
C9H6FNO2
Molecular Weight
179.15
Canonical SMILES
Oc1cc2cc(F)ccc2[nH]c1=O
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InChI
InChI=1S/C9H6FNO2/c10-6-1-2-7-5(3-6)4-8(12)9(13)11-7/h1-4,12H,(H,11,13)
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InChIKey
XMEDGBPWEVERPL-UHFFFAOYSA-N
Physicochemical Property
logP
1.3728
Rotatable Bonds
0
Heavy Atom Count
13
Polar Areas
53.09
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
13

"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: 23354375
SID: 85157375
ChEMBL ID
CHEMBL509045
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 = 9 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Kd = 17 nM
Protein ID: PT03113, 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 = 308 nM
   TI
   LI
   LO
   TS
Protein ID: PT04851, D-aspartate oxidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 8880 nM
   TI
   LI
   LO
   TS