General Information of the Compound
Compound ID
CP0886351
Compound Name
(R)-4-methoxybenzyl 6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
    Show/Hide
Structure
Formula
C20H20N2O4
Molecular Weight
352.39
Canonical SMILES
COc1ccc(COC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccccc2)cc1
    Show/Hide
InChI
InChI=1S/C20H20N2O4/c1-13-17(18(22-20(24)21-13)15-6-4-3-5-7-15)19(23)26-12-14-8-10-16(25-2)11-9-14/h3-11,18H,12H2,1-2H3,(H2,21,22,24)/t18-/m1/s1
    Show/Hide
InChIKey
UYAOSISJVXIDNR-GOSISDBHSA-N
Physicochemical Property
logP
3.0665
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
76.66
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 1043089
ChEMBL ID
CHEMBL2333505
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 = 70 nM
   TI
   LI
   LO
   TS