General Information of the Compound
Compound ID
CP0415623
Compound Name
(4-methoxyphenyl)methyl 4-(furan-2-yl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate
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Structure
Formula
C20H22N2O5
Molecular Weight
370.405
Canonical SMILES
COc1ccc(COC(=O)C2=C(C)N(C)C(=O)N(C)C2c2ccco2)cc1
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InChI
InChI=1S/C20H22N2O5/c1-13-17(19(23)27-12-14-7-9-15(25-4)10-8-14)18(16-6-5-11-26-16)22(3)20(24)21(13)2/h5-11,18H,12H2,1-4H3
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InChIKey
OZIROVZJQZMINS-UHFFFAOYSA-N
Physicochemical Property
logP
3.3439
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
72.22
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
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: 71653051
ChEMBL ID
CHEMBL2333513
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 = 1.6 nM
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