General Information of the Compound
Compound ID
CP0176014
Compound Name
3-hydroxyquinolin-2(1H)-one, 2
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Structure
Formula
C9H7NO2
Molecular Weight
161.16
Canonical SMILES
Oc1cc2ccccc2[nH]c1=O
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InChI
InChI=1S/C9H7NO2/c11-8-5-6-3-1-2-4-7(6)10-9(8)12/h1-5,11H,(H,10,12)
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InChIKey
BERPCVULMUPOER-UHFFFAOYSA-N
Physicochemical Property
logP
1.2337
Rotatable Bonds
0
Heavy Atom Count
12
Polar Areas
53.09
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
12

"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: 818159
SID: 15194878
ChEMBL ID
CHEMBL146227
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 = 4 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 6.9 nM
2 IC50 = 43 nM
3 Kd = 13 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 = 215 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 94 nM
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 = 855 nM
   TI
   LI
   LO
   TS