General Information of the Compound
Compound ID
CP0339214
Compound Name
methyl 5-hydroxy-6-oxo-2-pyrazin-2-yl-1H-pyrimidine-4-carboxylate
    Show/Hide
Structure
Formula
C10H8N4O4
Molecular Weight
248.198
Canonical SMILES
COC(=O)c1nc([nH]c(=O)c1O)-c1cnccn1
    Show/Hide
InChI
InChI=1S/C10H8N4O4/c1-18-10(17)6-7(15)9(16)14-8(13-6)5-4-11-2-3-12-5/h2-4,15H,1H3,(H,13,14,16)
    Show/Hide
InChIKey
SMBXFQJIADQFFG-UHFFFAOYSA-N
Physicochemical Property
logP
-0.2809
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
118.06
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
18

"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: 135446125
SID: 16689289
ChEMBL ID
CHEMBL2040568
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 = 25460 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 8000 nM