General Information of the Compound
Compound ID
CP0338376
Compound Name
N-(cyclopropylmethyl)-5-hydroxy-6-oxo-2-pyrazin-2-yl-1H-pyrimidine-4-carboxamide
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Structure
Formula
C13H13N5O3
Molecular Weight
287.279
Canonical SMILES
Oc1c(nc([nH]c1=O)-c1cnccn1)C(=O)NCC1CC1
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InChI
InChI=1S/C13H13N5O3/c19-10-9(12(20)16-5-7-1-2-7)17-11(18-13(10)21)8-6-14-3-4-15-8/h3-4,6-7,19H,1-2,5H2,(H,16,20)(H,17,18,21)
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InChIKey
OKJFDVHTIVXZEU-UHFFFAOYSA-N
Physicochemical Property
logP
0.0723
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
120.86
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
21

"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: 136244267
ChEMBL ID
CHEMBL2040569
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 = 3660 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 990 nM