General Information of the Compound
Compound ID
CP0371190
Compound Name
3-hydroxyquinolin-2(1H)-one, 4
    Show/Hide
Structure
Formula
C9H6FNO2
Molecular Weight
179.15
Canonical SMILES
Oc1cc2ccc(F)cc2[nH]c1=O
    Show/Hide
InChI
InChI=1S/C9H6FNO2/c10-6-2-1-5-3-8(12)9(13)11-7(5)4-6/h1-4,12H,(H,11,13)
    Show/Hide
InChIKey
DIUYMCVADDVTRZ-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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 44157496
SID: 85157470
ChEMBL ID
CHEMBL443399
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 = 10 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Kd = 38 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 = 1445 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 = 22400 nM
   TI
   LI
   LO
   TS