General Information of the Compound
Compound ID
CP0092193
Compound Name
5-hydroxy-2-(1-methylimidazol-4-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid
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Structure
Formula
C9H8N4O4
Molecular Weight
236.187
Canonical SMILES
Cn1cnc(c1)-c1nc(C(O)=O)c(O)c(=O)[nH]1
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InChI
InChI=1S/C9H8N4O4/c1-13-2-4(10-3-13)7-11-5(9(16)17)6(14)8(15)12-7/h2-3,14H,1H3,(H,16,17)(H,11,12,15)
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InChIKey
OIINGOWTGWVZNY-UHFFFAOYSA-N
Physicochemical Property
logP
-0.4258
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
121.1
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
17

"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: 135566706
ChEMBL ID
CHEMBL2040563
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: PT01174, Polymerase acidic protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
EC50 = 18090 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 5010 nM