General Information of the Compound
Compound ID
CP0177536
Compound Name
6-(3,4-dichlorophenyl)-5-hydroxypyrimidine-4-carboxylic acid
    Show/Hide
Structure
Formula
C11H6Cl2N2O3
Molecular Weight
285.086
Canonical SMILES
OC(=O)c1ncnc(c1O)-c1ccc(Cl)c(Cl)c1
    Show/Hide
InChI
InChI=1S/C11H6Cl2N2O3/c12-6-2-1-5(3-7(6)13)8-10(16)9(11(17)18)15-4-14-8/h1-4,16H,(H,17,18)
    Show/Hide
InChIKey
VBMGLJRHQFZTOY-UHFFFAOYSA-N
Physicochemical Property
logP
2.8542
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
83.31
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 118730425
ChEMBL ID
CHEMBL3407878
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: PT02724, Kynurenine 3-monooxygenase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 3500 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 140 nM