General Information of the Compound
Compound ID
CP0450455
Compound Name
(3-methoxyphenyl)methyl 6-(furan-2-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
    Show/Hide
Structure
Formula
C19H20N2O5
Molecular Weight
356.378
Canonical SMILES
COc1cccc(COC(=O)C2=C(C)N(C)C(=O)NC2c2ccco2)c1
    Show/Hide
InChI
InChI=1S/C19H20N2O5/c1-12-16(17(15-8-5-9-25-15)20-19(23)21(12)2)18(22)26-11-13-6-4-7-14(10-13)24-3/h4-10,17H,11H2,1-3H3,(H,20,23)
    Show/Hide
InChIKey
ZZRPAIYIPRFZAP-UHFFFAOYSA-N
Physicochemical Property
logP
3.0017
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
81.01
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 71653053
ChEMBL ID
CHEMBL2333515
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: PT06392, Sodium/iodide cotransporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000459 FRTL-5 Rattus norvegicus (Rat)  1
1
IC50 = 75 nM
   TI
   LI
   LO
   TS