General Information of the Compound
Compound ID
CP0257766
Compound Name
5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxylic acid
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Structure
Formula
C10H7N3O4
Molecular Weight
233.183
Canonical SMILES
OC(=O)c1nc([nH]c(=O)c1O)-c1ccccn1
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InChI
InChI=1S/C10H7N3O4/c14-7-6(10(16)17)12-8(13-9(7)15)5-3-1-2-4-11-5/h1-4,14H,(H,16,17)(H,12,13,15)
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InChIKey
GHGUXTXCARENBN-UHFFFAOYSA-N
Physicochemical Property
logP
0.2357
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
116.17
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
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: 135446970
ChEMBL ID
CHEMBL181602
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 = 5920 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 1840 nM