General Information of the Compound
Compound ID
CP0966990
Compound Name
3,4-Dimethoxybenzyl 4-(furan-2-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
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Structure
Formula
C19H20N2O6
Molecular Weight
372.377
Canonical SMILES
COc1ccc(COC(=O)C2=C(C)NC(=O)NC2c2ccco2)cc1OC
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InChI
InChI=1S/C19H20N2O6/c1-11-16(17(21-19(23)20-11)14-5-4-8-26-14)18(22)27-10-12-6-7-13(24-2)15(9-12)25-3/h4-9,17H,10H2,1-3H3,(H2,20,21,23)
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InChIKey
XSDNRLVBMKNCDF-UHFFFAOYSA-N
Physicochemical Property
logP
2.6681
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
99.03
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
27

"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: 71653055
ChEMBL ID
CHEMBL2333517
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 = 400 nM
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