General Information of the Compound
Compound ID
CP0381015
Compound Name
3-hydroxy-1H-imidazo[4,5-c]pyridin-2-one
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Structure
Formula
C6H5N3O2
Molecular Weight
151.125
Canonical SMILES
On1c2cnccc2[nH]c1=O
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InChI
InChI=1S/C6H5N3O2/c10-6-8-4-1-2-7-3-5(4)9(6)11/h1-3,11H,(H,8,10)
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InChIKey
MJIGFTOLIYRKMM-UHFFFAOYSA-N
Physicochemical Property
logP
-0.0381
Rotatable Bonds
0
Heavy Atom Count
11
Polar Areas
70.91
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
11

"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: 71460302
SID: 163440775
ChEMBL ID
CHEMBL2152719
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 = 70000 nM
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