General Information of the Compound
Compound ID
CP0314074
Compound Name
3-hydroxy-7-methoxy-1H-benzimidazol-2-one
    Show/Hide
Structure
Formula
C8H8N2O3
Molecular Weight
180.163
Canonical SMILES
COc1cccc2n(O)c(=O)[nH]c12
    Show/Hide
InChI
InChI=1S/C8H8N2O3/c1-13-6-4-2-3-5-7(6)9-8(11)10(5)12/h2-4,12H,1H3,(H,9,11)
    Show/Hide
InChIKey
HWINKOAWQWLCBL-UHFFFAOYSA-N
Physicochemical Property
logP
0.5755
Rotatable Bonds
1
Heavy Atom Count
13
Polar Areas
67.25
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 71456593
SID: 163440780
ChEMBL ID
CHEMBL2152724
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 = 100 nM
   TI
   LI
   LO
   TS