General Information of the Compound
Compound ID
CP0161697
Compound Name
5-fluoro-3-hydroxy-1H-benzimidazol-2-one
    Show/Hide
Structure
Formula
C7H5FN2O2
Molecular Weight
168.127
Canonical SMILES
On1c2cc(F)ccc2[nH]c1=O
    Show/Hide
InChI
InChI=1S/C7H5FN2O2/c8-4-1-2-5-6(3-4)10(12)7(11)9-5/h1-3,12H,(H,9,11)
    Show/Hide
InChIKey
ZCSJDFBWSBTWPV-UHFFFAOYSA-N
Physicochemical Property
logP
0.706
Rotatable Bonds
0
Heavy Atom Count
12
Polar Areas
58.02
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 71462001
SID: 163440831
ChEMBL ID
CHEMBL2152740
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
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 400 nM
   TI
   LI
   LO
   TS