General Information of the Compound
Compound ID
CP0456293
Compound Name
2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-3-olate
    Show/Hide
Structure
Formula
C10H10N2O
Molecular Weight
174.203
Canonical SMILES
Cc1nc2cccc[n+]2c(C)c1[O-]
    Show/Hide
InChI
InChI=1S/C10H10N2O/c1-7-10(13)8(2)12-6-4-3-5-9(12)11-7/h3-6H,1-2H3
    Show/Hide
InChIKey
KDTJYDLSCGZZLD-UHFFFAOYSA-N
Physicochemical Property
logP
0.51074
Rotatable Bonds
0
Heavy Atom Count
13
Polar Areas
40.05
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
13

"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: 11275309
SID: 16361706
ChEMBL ID
CHEMBL1779949
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: PT02042, Cystic fibrosis transmembrane conductance regulator
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 5 nM
   TI
   LI
   LO
   TS