General Information of the Compound
Compound ID
CP0222790
Compound Name
5,6-dihydroxy-2-pyrazin-2-ylpyrimidine-4-carboxylic acid
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Structure
Formula
C9H6N4O4
Molecular Weight
234.171
Canonical SMILES
OC(=O)c1nc([nH]c(=O)c1O)-c1cnccn1
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InChI
InChI=1S/C9H6N4O4/c14-6-5(9(16)17)12-7(13-8(6)15)4-3-10-1-2-11-4/h1-3,14H,(H,16,17)(H,12,13,15)
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InChIKey
UUPPOBBBMAWWMW-UHFFFAOYSA-N
Physicochemical Property
logP
-0.3693
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
129.06
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: 135427888
SID: 16820553
ChEMBL ID
CHEMBL205130
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 = 3800 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 1100 nM